Wayne State University, Detroit, MI (B.S., Mathematics, 1982); NYU, Courant Institute of Mathematical Sciences, New York, NY (Applied Mathematics, M.S., 1984 and Ph.D., 1987)

Director of new multidepartmental Computational Biology Doctoral Program, Graduate School of Arts and Sciences, NYU (2003 - 2006); Director of Program Development, Department of Chemistry, NYU (2003 - 2006); Director of Graduate Studies, Department of Chemistry, NYU (2000 - 2003); Associate Investigator, Howard Hughes Medical Institute (1994 - 2003); Affiliate, Biochemistry Department, NYU School of Medicine (1996 -); Professor of Chemistry, Mathematics, and Computer Sciences, NYU (1996 -); Assistant (until 1992) and Associate (until 1996) Professor of Chemistry and Mathematics, Faculty of Arts and Science and Courant Institute of Mathematical Sciences, NYU (1989 - 1996); Weizmann Institute Postdoctoral Fellow, Weizmann Institute of Science, Rehovot, Israel (1988); NSF Mathematical Sciences Postdoctoral Fellow in the Mathematical/Physical Sciences, Courant Institute of Mathematical Sciences, NYU (1987 - 1989)

Aspen Health Forum Fellow (2007);2005 Businesswoman of the Year (2006); American Physical Society Fellow (2005); American Association for the Advancement of Science Fellow (2004); Sri Chinmoy Lifting Up the World Oneness-Heart Award (2003); Agnes Fay Morgan Research Award in Chemistry, Iota Sigma Pi National Honor Society (2003); Burroughs Wellcome Visiting Professor, University of North Carolina (2000 - 2001); John Simon Guggenheim Fellow (2000 - 2001); AWIS Outstanding Woman in Science (2000); Alfred P. Sloan Research Fellow (1993 - 1995); NYU Distinguished Recent Alumna (1993); NSF Presidential Young Investigator (1991 - 1996); Whitaker Fellow in Biomedical Engineering (1991 - 1994); Searle Scholar (1991 - 1994); Whitehead Presidential Fellow, NYU (1991); Marie Curie American Fellow, American Association for University Women Educational Foundation (1990 - 1991); Kurt O. Friedrichs Prize for Outstanding Dissertation in Mathematics, Courant (1988); Jay Krakauer Prize for Outstanding Dissertation in the Sciences, NYU (1988); NSF Mathematical Sciences Postdoctoral Fellow (1987 - 1989); American Cancer Society Postdoctoral Fellow (declined) (1987 - 1990); Dean's Dissertation Fellow, NYU (1986 - 1987); Phi Beta Kappa, National Honor Society, Honor Society, Graduation with Excellence in Mathematics and French, Outstanding Leadership Award in University Programs, Wayne State University (1982); Wayne State University Merit Scholar (Four-Year Tuition) (1978 - 1982)

• T. Schlick, Molecular Modeling: An Interdisciplinary Guide, Springer-Verlag, NY (2002).
  
  

• M.C. Foley and T. Schlick, Simulations of DNA pol lambda R517 mutants indicate 517's crucial role in ternary complex stability and suggest DNA slippage origin, J. Am. Chem. Soc., 130, 3967-3977 (2008).
  
  
• K. Bebenek, M. Garcia-Diaz, M.C. Foley, L.C. Pedersen, T. Schlick, and T.A. Kunkel, Substrate-induced DNA strand misalignment during catalytic cycling by DNA polymerase lambda, EMBO Rep., 9, 459-64 (2008).
  
  
• Y. Xin, G. Quarta, H.H. Gan, and T. Schlick, Estimating the fraction of noncoding RNAs in mammalian transcriptomes, Bioinformatics and Biology Insights, 2, 77-95 (2008).
  
  
• N. Kim, J.S. Shin, S. Elmetwaly, H.H. Gan, and T. Schlick, RAGPOOLS: RNA-As-Graph-Pools - A web server for assisting the design of structured RNA pools for in vitro selection, Bioinformatics, 23, 2959-2960 (2007).
  
  
• N. Kim, H.H. Gan and T. Schlick, A computational proposal for designing structured RNA pools for in vitro selection of RNAs, RNA, 13:478-492 (2007).
  
  
• G. Arya and T. Schlick, Efficient Global Biopolymer Sampling with End-Transfer Configurational Bias Monte Carlo, J. Chem. Phys, 126:044107 (2007).
  
  
• Y. Wang and T. Schlick, Distinct Energetics and Closing Pathwasys for DNA Polymerase Beta with 8-oxoG Template and Different Incoming Nucleotides, BMC Structural Biology, 7:7 (2007).
  
  
• R. Radhakrishnan and T. Schlick, Correct and Incorrect Nucleotide Incorporation Pathways in DNA Polymerase Beta, BBRC, 350: 521--529 (2006).
  
  
• R. Radhakrishnan, K. Arora, Y. Wang, W. Beard, S. Wilson, and T. Schlick, Regulation of DNA Repair Fidelity by Molecular Checkpoints: "Gates" in DNA Polymerase Beta's Substrate Selection, Biochem., 45: 15142--15156 (2006).
  
  
• G. Arya and T. Schlick, Role of Histone Tails in Chromatin Folding Revealed by a New Mesoscopic Oligonucleosome Model, Proc. Natl. Acad. Sci., 103: 16236--16241 (2006).
  
  
• Y. Wang, S. Reddy, W. Beard, S. Wilson, and T. Schlick, Differing Conformational Pathways Before and After Chemistry for Insertion of dATP vs. dCTP Opposite 8-oxoG in DNA Polymerase Beta, In Press (2006).
  
  
• T. Schlick, RNA --- The Cousin Left Behind Becomes a Star, in Computational Studies of DNA and RNA, J. Sponer and F. Lankas, Editors, in Challenges and Advances in Computational Chemistry and Physics, Vol. 2 (ISBN-10: 1-4020-4794-0), Springer- Dordrecht, The Netherlands (2006).
  
  
• M. Foley, K. Arora, and T. Schlick, Sequential Side-Chain Residue Motions Transform the Binary into the Ternary State of DNA Polymerase Lambda, Biophys. J., 91: 3182--3195 (2006).
  
  
• G. Arya, Q. Zhang, and T. Schlick, Flexible Histone Tails in a New Mesoscopic Oligonucleosome Model, Biophys. J., 91: 133--150 (2006). [Figure featured on journal cover].
  
  
• Q. Zhang and T. Schlick, Stereochemistry and Position-Dependent Effects of Carcinogens on TATA/TBP Binding, Biophys. J., 90: 1865--1877 (2006).
  
  
• Y. Wang, K. Arora, and T. Schlick, Subtle but Variable Conformational Rearrangements in the Replication Cycle of Sulfolobus solfataricus P2 DNA Polymerase IV May Accommodate Lesion Bypass, Prot. Sci., 15: 135--151 (2006).
  
  
• B. A. Sampoli Benitez, K. Arora, and T. Schlick, Induced-Fit Mechanism for the Interaction of the African Swine Fever Virus DNA Polymerase X with Its Target DNA, Biophys. J., 90: 42--56 (2006). [Figure featured on journal cover].
  
  
• U. Laserson, H. H. Gan and T. Schlick, Predicting Candidate Genomic Sequences that Correspond to Synthetic Functional RNA Motifs, Nuc. Acids Res. 33: 6057--6069 (2005).
  
  
• U. Laserson, H. H. Gan, and T. Schlick, Exploring the Connection Between Synthetic and Natural RNAs in Genomes Via a Novel Computational Approach, in New Algorithms for Macromolecular Simulation, Proceedings of the Fourth International Workshop on Algorithms for Macromolecular Modelling, Leicester, UK, August 2004'', B. Leimkuhler, C. Chipot, R. Elber, A. Laaksonen, A. Mark, T. Schlick, C. Schuette, R.D. Skeel, Editors, Lecture Notes in Computational Science and Engineering, Vol. 49 (ISBN 3­540­25542­7), Springer­-Verlag, Berlin (2005).
  
  
• R. Radhakrishnan and T. Schlick, Fidelity Discrimination in DNA Polymerase : Differing Closing Profiles for a Mismatched (G:A) Versus Matched (G:C) Base Pair, J. Amer. Chem. Soc. 127: 13245--13252 (2005).
  
  
• K. Arora, W. A. Beard, S. H. Wilson, and T. Schlick, Mismatch Induced Conformational Distortions in Polymerase Support an Induced­Fit Mechanism for Fidelity, Biochem. 44: 13328--13341 (2005).
  
  
• J. Gevertz, H. H. Gan, and T. Schlick, In Vitro RNA Random Pools are Not Structurally Diverse: A Computational Analysis, RNA 11: 853--863 (2005).
  
  
• J. Sun, Q. Zhang, and T. Schlick, Electrostatic Mechanism of Nucleosomal Array Folding Revealed by Computer Simulation, Proc. Natl. Acad. Sci. 102: 8180--8185 (2005).
  
  
• K. Arora and T. Schlick, Conformational Transition Pathway of Polymerase /DNA upon Binding Correct Incoming Substrate, J. Phys. Chem. B 109: 5358--5367 (2005).
  
  
• T. Schlick, The Critical Collaboration Between Art and Science: Applying An Experiment on a Bird in an Air Pump to the Ramifications of Genomics on Society, Leonardo 38(4): 323--329 (2005).
  
  
• S. Pasquali, H. H. Gan and T. Schlick, Modular RNA Architecture Revealed by Computational Analaysis of Existing Pseudoknots and Ribosomal RNAs, Nuc. Acids Res. 33: 1384--1398 (2005).
  
  
• D. Fera, N. Kim, N. Shiffeldrim, J. Zorn, U. Laserson, H.H. Gan, and T. Schlick, RAG: RNA-As-Graphs Web Resource, BMC Bioinformatics 5: 88--97 (2004). (http://www.biomedcentral.com/1471­2105/5/88).
  
  
• K. Arora and T. Schlick, In Silico Evidence for DNA Polymerase 's Substrate-Induced Conformational Change, Biophys. J. 87: 3088--3099 (2004).
  
  
• Q. Zhang, S. Broyde, and T. Schlick, Deformations of Promoter DNA Bound to Carcinogens Help Interpret Effects on TATA-Element Structure and Activity, Phil. Trans. Royal Soc. Lond., Series A: Mathematical, Physical & Engineering Sciences 362: 1479--1496 (Special Volume on Mechanics of DNA) (2004).
  
  
• R. Radhakrishnan and T. Schlick, Biomolecular Free Energy Profiles by a Shooting/Umbrella Sampling Protocol, "BOLAS", J. Chem. Phys. 121: 2436--2444 (2004).
  
  
• L. Yang, W. A. Beard, S. H. Wilson, S. Broyde, and T. Schlick, Highly Organized but Pliant Active Site of DNA Polymerase : Compensatory Mechanisms in Mutant Enzymes Revealed by Dynamics Simulations and Energy Analyses, Biophys. J. 86: 3392--3408 (2004).
  
  
• J. Zorn, H. H. Gan, N. Shiffeldrim, and T. Schlick, Structural Motifs in Ribosomal RNAs: Implications for RNA Design and Genomics, Biopolymers 73: 340--347 (2004).
  
  
• N. Kim, N. Shiffeldrim, H. H. Gan, and T. Schlick, Candidates for Novel RNA Topologies, J. Mol. Biol. 341: 1129--1144 (2004).
  
  
• L. Yang, K. Arora, W. A. Beard, S. H. Wilson, and T. Schlick, The Critical Role of Magnesium Ions in DNA Polymerase Beta's Closing and Active Site Assembly, J. Amer. Chem. Soc. 126: 8441--8453 (2004).
  
  
• U. Laserson, H. H. Gan, and T. Schlick, Searching for 2D RNA Geometries in Bacterial Genomes, Proceedings of the Twentieth Annual ACM Symposium on Computational Geometry, June 9--11, New York, pp. 373--377, ACM Press (2004) (http://doi.acm.org/10.1145/997817.997819).
  
  
• H. H. Gan, D. Fera, J. Zorn, M. Tang, N. Shiffeldrim, U. Laserson, N. Kim, and T. Schlick, RAG: RNA-As-Graphs Database -- Concepts, Analysis, and Features, Bioinformatics 20: 1285--1291 (2004).
  
  
• R. Radhakrishnan and T. Schlick, Orchestration of Cooperative Events in DNA Synthesis and Repair Mechanism Unraveled by Transition Path Sampling of DNA Polymerase 's Closing, Proc. Natl. Acad. Sci. USA 101: 5970--5975 (2004).
  
  
• T. Schlick, Engineering Teams Up with Computer-Simulation and Visualization Tools to Probe Biomolecular Mechanisms, Biophys. J. 85: 1--4 (Invited New & Notable article) (2003). [Figure featured on journal cover].
  
  
• J. Huang, Q. Zhang, and T. Schlick, Effect of DNA Superhelicity and Bound Proteins on Mechanistic Aspects of the Hin-mediated and Fis-enhanced Inversion, Biophys. J. 85: 804--817 (2003).
  
  
• H. H. Gan, S. Pasquali, and T. Schlick, A Survey of Existing RNAs Using Graph Theory with Implications to RNA Analysis and Design, Nuc. Acids. Res. 31: 2926--2943 (2003).
  
  
• L. Yang, W. A. Beard, S. H. Wilson, B. Roux, S. Broyde, and T. Schlick, Local Deformations Revealed by Dynamics Simulations of DNA Polymerase with DNA Mismatches at the Primer Terminus, J. Mol. Biol. 321: 459--478 (2002).
  
  
• X. Qian and T. Schlick, Efficient Multiple Timestep Integrators with Distance-Based Force Splitting for Particle-Mesh Ewald Molecular Dynamics Simulations, J. Chem. Phys. 116: 5971--5983 (2002).
  
  
• L. Yang, W. A. Beard, S. H. Wilson, S. Broyde, and T. Schlick, Polymerase Simulations Reveal that Arg258 Rotation is a Slow Step Rather than Large Subdomain Motions Per Se, J. Mol. Biol. 317: 651--671 (2002).
  
  
• P. F. Batcho, D. A. Case, and T. Schlick, Optimized Particle-Mesh Ewald/Multiple-Timestep Integration for Molecular Dynamics Simulations, J. Chem. Phys. 115: 4003--4018 (2001).
  
  
• X. Qian, D. Strahs, and T. Schlick, A New Program for Optimizing Periodic Boundary Models of Solvated Biomolecules (PBCAID), J. Comp. Chem. 22: 1843--1850 (2001).
  
  
• X. Qian, D. Strahs, and T. Schlick, Dynamic Simulations of 13 TATA Variants Refine Kinetic Hypotheses of Sequence/Activity Relationships, J. Mol. Biol. 308: 681--703 (2001).
  
  
• D. Beard and T. Schlick, Computational Modeling Predicts the Structure and Dynamics of the Chromatin Fiber, Structure 9: 105--114 (2001).
  
  
• D. Beard and T. Schlick, Modeling Salt-Mediated Electrostatics of Macromolecules: The Algorithm DiSCO (Discrete Surface Charge Optimization) and Its Application to the Nucleosome, Biopolymers 58: 106--115 (2001). [Figure featured on journal cover].
  
  
• T. Schlick, D. Beard, J. Huang, D. Strahs, and X. Qian, Computational Challenges in Simulating Large DNA Over Long Times, IEEE Comp. Sci. Eng. (Special Issue on Computational Chemistry) 2: 38--51 (2000).
  
  
• D. Beard and T. Schlick, Inertial Stochastic Dynamics: I. Long-Timestep Methods for Langevin Dynamics, J. Chem. Phys. 112: 7313--7322 (2000).
  
  
• T. Schlick, R.D. Skeel, A.T. Brunger, L.V. Kale, J. Hermans, K. Schulten, and J.A. Board, Jr., Algorithmic Challenges in Computational Molecular Biophysics, J. Comp. Phys. 151: 9--48 (1999).
  
  
• T. Schlick, Computational Molecular Biophysics Today: A Confluence of Methodological Advances and Complex Biomolecular Applications, J. Comp. Phys. 151: 1--8 (1999).
  
  
• D. Xie and T. Schlick, Effiecient Implementation of the Truncated Newton Method for Large Scale Chemistry Applications, SIAM J. Opt. 10: 132--154 (1999).
  
  
• H. Jian, T. Schlick, and A. Vologodskii, Internal Motion of Supercoiled DNA: Brownian Dynamics Simulations of Site Juxtaposition, J. Mol. Biol. 284: 287--296 (1998). [Figure featured on journal cover].
  
  
• T. Schlick, M. Mandziuk, R. Skeel, K. Srinivas, Nonlinear Resonance Artifacts in Molecular Dynamics, J. Comp. Phys. 139: 1--29 (1998).
  
  
• E. Barth and T. Schlick, Overcoming Stability Limitations in Biomolecular Dynamics: I. Combining Force Splitting via Extrapolation with Langevin Dynamics in LN, J. Chem. Phys. 109: 1617--1632 (1998).
  
  
• P. Derreumaux and T. Schlick, Simulation of the Loop Opening/Closing of the Enzyme Triosephosphate Isomerase (TIM), Biophys. J. 74: 72--81 (1998).
  
  
• T. Schlick, Geometry Optimization, Contributed chapter to the Encyclopedia of Computational Chemistry (5 volumes), P. von Rague Schleyer, Editor in Chief, and N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, and H. F. Schaefer III, eds., John Wiley & Sons, West Sussex, Vol. 2, pp. 1136--1157 (1998).
  
  
• T. Schlick, E. Barth, and M. Mandziuk, Biomolecular Dynamics at Long Timesteps: Bridging the Time Scale Gap Between Simulation and Experimentation, Annu. Rev. Biophys. Biomol. Struct. 26: 179--220 (1997).
  
  
• R. D. Skeel, G. Zhang, and T. Schlick, A Family of Symplectic Integrators: Stability, Accuracy, and Molecular Dynamics Applications, SIAM J. Sci. Comp. 18: 203--222 (1997).
  
  
• T. Pinou, T. Schlick, B. Li, and H. Dowling, Addition of Darwin's Third Dimension to Evolutionary Trees, J. Theor. Bio. 219: 505--512 (1996).
  
  
• T. Schlick and A. Brandt, A Multigrid Tutorial with Applications to Molecular Dynamics, IEEE Comp. Sci. Eng. 3: 78--83 (1996).
  
  
• B. Mishra and T. Schlick, The Notion of Error in Langevin Dynamics: (1) Linear Analysis, J. Chem. Phys. 105: 299--318 (1996).
  
  
• T. Schlick, Pursuing Laplace's Vision On Modern Computers, Proceedings of the IMA Program in Mathematical Biology, IMA Volumes in Mathematics and its Applications, Vol. 82, pp. 219--247, J. Mesirov, K. Schulten, and D.W. Sumners, eds., Springer-Verlag, New York (1996).
  
  
• T. Schlick, Modeling Superhelical DNA: Recent Analytical and Dynamic Approaches, Curr. Opin. Struc. Bio. 5: 245--262 (1995). Special issue on Theory and Simulation, B. Honig, ed.
  
  
• M. Mandziuk and T. Schlick, Resonance in the Dynamics of Chemical Systems Simulated by the Implicit Midpoint Scheme, Chem. Phys. Lett. 237: 525--535 (1995).
  
  
• G. Ramachandran and T. Schlick, Solvent Effects on Supercoiled DNA Explored by Langevin Dynamics Simulations, Phys. Rev. E 51: 6188--6203 (1995).
  
  
• T. Schlick, B. Li, and W.K. Olson, The Effects of Salt on Supercoiled DNA Energetics and Dynamics, Biophys. J. 67: 2146--2166 (1994).
  
  
• G. Zhang and T. Schlick, The Langevin/Implicit-Euler/Normal-Mode Scheme (LIN) for Molecular Dynamics at Large Timesteps, J. Chem. Phys. 101: 4995--5012 (1994).
  
  
• P. Derreumaux, G. Zhang, B. Brooks, and T. Schlick, A Truncated-Newton Method Adapted for CHARMM and Biomolecular Applications, J. Comp. Chem. 15: 532--552 (1994).
  
  
• G. Zhang and T. Schlick, LIN: A New Algorithm Combining Implicit Integration and Normal Mode Techniques for Molecular Dynamics, J. Comp. Chem. 14: 1212--1233 (1993).
  
  
• X. Zou, I.M. Navon, M. Berger, P.K.H. Phua, T. Schlick, and F.X. Le Dimet, Numerical Experience with Limited-Memory and Truncated Newton Methods, SIAM J. Opt. 3: 582--608 (1993).
  
  
• T. Schlick, Modified Cholesky Factorizations for Sparse Preconditioners, SIAM J. Sci. Comp. 14: 424--445 (1993).
  
  
• T. Schlick, Optimization Methods in Computational Chemistry, in Reviews in Computational Chemistry, Volume 3, Chapter 1, pp. 1--71, K.B. Lipkowitz and D.B. Boyd, eds., VCH Publishers, New York (1992).
  
  
• A. Nyberg and T. Schlick, On Increasing the Time Step in Molecular Dynamics, Chem. Phys. Lett. 198: 538--546 (1992).
  
  
• T. Schlick and W.K. Olson, Trefoil Knotting Revealed by Molecular Dynamics of Supercoiled DNA, Science 257: 1110--1115 (1992).
  
  
• T. Schlick and A. Fogelson, TNPACK -- A Truncated Newton Minimization Package for Large-Scale Problems: I. Algorithm and Usage, ACM Trans. Math. Softw. 18: 46--70 (1992).
  
  
• T. Schlick and A. Fogelson, TNPACK -- A Truncated Newton Minimization Package for Large-Scale Problems: II. Implementation Examples, ACM Trans. Math. Softw. 18: 71--111 (1992).
  
  
• T. Schlick and W.K. Olson, Computer Simulations of Supercoiled DNA Energetics and Dynamics, J. Mol. Biol 223: 1089-1119 (1992).
  
  
• T. Schlick and C.S. Peskin, Can Classical Equations Simulate Quantum-Mechanical Behavior? A Molecular Dynamics Investigation of a Diatomic Molecule with a Morse Potential, Comm. Pure Appl. Math. 42: 1141--1163 (1989).
  
  
• C.S. Peskin and T. Schlick, Molecular Dynamics by the Backward-Euler Method, Comm. Pure Appl. Math. 42: 1001--1031 (1989).
  
  
• T. Schlick and M. Overton, A Powerful Truncated Newton Method for Potential Energy Minimization, J. Comp. Chem. 8: 1025--1039 (1987).
  
  
• W.L. Hase, D.M. Ludlow, R.J. Wolf, and T. Schlick, Translational and Vibrational Energy Dependence of the Cross Section for H + C₂H₄ ---> C₂H₅, J. Phys. Chem. 85: 958--968 (1981).
  
  

Advisory Committee Member - 3DSIG Presentation Selection Committee Member (2008); NIH Young Innovators Award program evaluator (2007); NIH Director's Pioneer Award Evaluator (2005,2006); HHMI-NIBIB (Howard Hughes Medical Institute - National Institute of Biomedical Imaging and Bioengineering, NIH) Initiative for Interdisciplinary Graduate Research training (2005); NIH Computational Biophysics study section (2004); New York Academy of Sciences Women Investigators Network (2004 - ); National Iota Sigma Pi Award Committee (2004); NSF with UK (EPSRC) High Speed Computing in the 21st Century, Focus on Materials and Biological Applications (2004); NYU's Center for Teaching Excellence (2004 - ); NIH Member of the Physical Biochemistry Review Study Section (2003 - 2006); The Philip Morris External Research Program Peer Review (2003); NSF's Advanced Computational Infrastructure (PACI) Resource Allocation Committee (2002 - ); NPACI (National Partnerships for Advanced Computational Infrastructure) Panel Review Board, NSF (2002 - ); Member-at-Large of the AAAS Section A (Mathematics) (2002 - 2005); NIH Special Focus Group (convened by Elias Zerhouni) (2002); Faculty of 1000, Structural Biology/ Theory and Simulation (2001 - ); NIH Special Study Section B, NIGMS (2001); Alumni Executive Committee, Wayne State University (2001 - ); Finance Committee, Biophysical Society (2001 - 2004); Michigan Life Sciences Corridor (MLSC) Fund Review Board, managed by The Washington Advisory Board (WAG), Purnell W. Choppin and James B. Wyngaarden, Principals (2000); NIH Site Visit panel, Intramural Review of Computational Applications Program (SAIC), NCI (2000); NIH BBCA study section (1999); SIAM Life Sciences Activity Group Steering Committee (1999 - ); Computational Science Program, External Advisory Board, Computational Science Program of the School of Computational Science and Information Technology (CSIT), Florida State University, Institute of Molecular Biophysics (1999 - ); NSF/NIH/DOE panel, Next Generation Biology: the Role of Next Generation Computing (1998); Vice-Chair Nomination Committee, Theoretical Chemical Subdivision, Physical Chemistry Division, American Chemical Society (1998 - ); Advisor to Museum Exhibition: The Chemistry of Living Things, New York Hall of Science, Flushing Meadows Corona Park, New York (1997 - ); NSF Academic Research Infrastructure Program (1996); Burroughs Wellcome Fund, Advisory Committee for Interface Program Between the Physical and Biological Sciences (1995 - 2000); AMS-SIAM Committee on Applied Mathematics (1995 - 2000); SIAM's representative to the AMS-ASA-AWM-IMS-MAA-NCTM-SIAM Committee on Women in the Mathematical Sciences (1994 - 2002); NIH RAC Board for the Parallel Structural Biology Project of the San Diego Supercomputing Center and UCSD (1994 - ); NIH Board of Scientific Counselors, National Library of Medicine (1994 - 1999); National Research Council, NAS, Report on Mathematical Challenges from Theoretical/Computational Chemistry, (1994 - 1995); NSF Biophysics Division (1993 - 1995); NIH Special Review Committee for Structural Biology as Applied to the Problem of Targeted Drug Design for the Treatment of AIDS Initiative (1992); NSF Advanced Scientific Computing Postdoctoral Research Associateship Program (1991 - 1994)

Editorial Boards - Intl. J. for Multiscale Computational Engineering (2007-present, Assoc. Editor); J. Phys. Chem. B (2007-; Advisory Board); SIAM Journal on Scientific Computing (2006 - 2009); SIAM Multiscale Modeling and Simulation (2005 - 2008); Biomedical Computational Review (2005 - ); Biomolecular Engineering (2004 - ); Biophysics J. (2004 - 2007); J. Comp. Phys. (1997 - ); Springer Verlag Lecture Notes in Comp. Sci. and Engin. (1996 - ); J. Theo. Biol. (1995 - )

Organizer/Co-Organizer - IMA Special Year in Computational Chemistry, University of Minnesota, Minneapolis, MN (2008 - 2009); IMA Special Year in Mathematics of Molecular and Cellular Biology (with DeWitt Sumners and Richard James), University of Minnesota, Minneaoplis, MS (2007 - 2008); IMA Workshop on RNA Biology, Bioengineering and Nanotechnology (with Eric Westhof), Institute for Mathematics and Its Applications, University of Minnesota, Minneapolis, MN (2007); 2007 SIAM Conference on Mathematics for Industry (Broad theme: Mathematics for Life Sciences), (2007); Fourth International Symposium on Algorithms for Molecular Modeling, Co-Organizer, University of Leicester, England (2004); Second SIAM Life Sciences Conference (2004); Geometric and PDE Modeling Problems in the Life Sciences, PRIMA, Hawaii (2004); Mathematical and Computational Approaches to Biomolecular Simulations, MSRI, Berkeley (2003); Workshop on Modeling and Simulation for Materials, Institute for Pure and Applied Mathematics (IPAM), UCLA (2002); First SIAM Life Sciences Conference, Boston (2002); SIAM Computational Sciences Meeting, Washington, D.C. (2000); Third International Symposium on Algorithms for Macromolecular Modeling, New York (2000); International Conference on Multiscale Methods, Weizmann Institute (2000); DIMACS/PMMB Workshop on DNA Topology (1997); IMA Special Year in High Performance Computing (1997); Molecular Dynamics Minisymposium, SIAM, Charlotte (1995); Multigrid Techniques with Applications to Molecular Dynamics, Weizmann Institute (1995); Program in Mathematical Biology, MSRI Berkeley (1992)

Recent Invited Presentations - Fith International Symposium on Algorithms for Macromolecular Modeling, University of Texas, Austin (2009); Computational Methods for RNA Analysis, Benasque Institute for Science, Benasque, Spain (2009); Fifth International Conference on Materials for Advanced Technologies (ICMAT 2009), Materials Research Sociedty of Singapore, Suntec Singapore International Convention Cenmter, Suntec, Singapore (2009); Overview Lecture, Workshop on Equilibrium and Nonequilibrium Dynamics of Chemical Reactions in the Gas Phase and in Condensed Phase, IMA Year on Mathematics and Chemistry, Institute for Mathematics and its Applications (IMA), University of Minnesota, Minneapolis, MN (2009); Statistical Mechanics Meeting, Berkeley, CA (2009); New York State High Performance Computation Conference, Experimental Media and Performing Arts Center, RPI, New York (2008); Knots and Entanglements in Biomolecules, International Center for Theoretical Physics, Trieste, Italy (2008); Julia Robinson and Hilbert's Tenth Problem Panel, New York Network Women in Mathematics, Graduate Center Einstein Chair Seminar, CUNY Graduate Center, New York (2008); Keynote Talk, 3Dsig Satellite Meeting, ISMB Conference, Toronto, Canada (2008); Mathematical and Numerical Methods for Free Energy Calculations, Christophe Chipot and Eric Darve, Organizers, Banff International Research Station for Mathematical Innovation and Discovery, Banff, AB, Canada (2008); Advances in Time-Integration minisymposium, 8thWorld Congress on Computational Mechanics, Venice, Italy (2008); Chemistry Program, ACS Mid-Atlantic Meeting, Queensborough Community College, New York, NY (2008); Multiscale Modeling in Biophysics International Symposium, Spring 2008 National Meeting, American Chemical Society, New Orleans, Louisiana (2008); Association of Theoretical and Computational Chemists, CUNY Graduate Center, New York, NY (2008); Mathematics of Molecular and Cellular Biology, Co-organizer (with E. Westhof) and speaker: workshop on RNA in Biology, Bioengineering and Nanotechnology, Institute for Mathematics and Its Applications, University of Minnesota, Minneapolis, MN (2007); Computational Biology Seminar, Digital Technology Library Seminar Series, University of Minnesota, Minneapolis, MN (2007); Third Mexican Meeting on Mathematical and Experimental Physics, Plenary Lecture on Computational Biology and Chemistry, Mexico City, Mexico (2007); Mathematics of Molecular and Cellular Biology (http://www.ima.umn.edu/2007-2008/), workshop on Molecular Dynamics, Institute for Mathematics and Its Applications, University of Minnesota, Minneapolis, MN (2007); BioComputational Chemistry Symposium, CSC2007, The 90th Canadian Chemistry Conference & Exhibition), Winnipeg, Canada (2007); Biophysical Models of Gene Regulation, New York Academy of Sciences, Bioinformatics and Computational Biology Section, New York, NY (2007); Program in Integrative Information, Computer and Application Sciences (PICASso), Computation and Data Analysis in Biology and Information Sciences Seminar Series, Princeton University, Princeton, NJ (2007); The Intersection of Science and Computing, sponsored by the New York Academy of Sciences and the University of Miami Joint Frontiers of Science Program, University of Miami-RSMAS, FL (2007); Biomolecular Simulation 2007 - First Annual Meeting of the Collaborative Project for Biomolecular Simulation (CCPB), University of Nottingham, UK (2007); Carolina Biophysics Symposium, Durham, NC (2006); Theoretical Chemistry Seminar Series, MIT, Boston, MA (2006); 60th Birthday Celebration for Charlie Peskin Symposium, Courant Institute, NYU, New York (2006); NSF-funded workshop on developing ideas for a new mathematical biology center, Washington, D.C. (2006); Loew Meeting 2005, International Society of Quantum Biology & Pharmacology (ISQBP), College of Staten Island (2005); Biological Society Seminar Series, New York University, New York (2005); Multi-Teraflop Computing in Biology, Materials, and Energy Science, a Workshop organized by Brookhaven National Lab, IBM, and Stony Brook; Stony Brook, New York (2005); Women In Science At Yale (WISAY) Group, Yale University, New Haven, CN (2005); Iota Sigma Pi National Honor Society for Women in Chemistry Triennial Convention, Sweet Briar College, Lynchburg, VA (2005); Mathematical Issues in Molecular Dynamics Workshop, Banff International Research Station, Banff, Canada (2005); Women at the Forefront of Biological Physics symposium, American Physical Society of Biological Physics and the Committee on the Status of Women in Physics, Los Angeles, CA (2005); Simulation of Biomolecules – Methods at the Boundaries, Opportunities for Physicists in Biophysics, Division of Biological Physics, American Physical Society National Meeting, Los Angeles, CA (2005); Young Researchers Workshop in Mathematical Biology, The Mathematical Biosciences Institute, Ohio State University, Columbus, OH (2005); Duke Structural Biology and Biophysics student seminar program, Duke University, Durham, NC (2005); Fourth International Symposium on Algorithms for Macromolecular Modeling, University of Leicester, UK (2004); American Chemical Society National Meeting, Symposium on The Molecular Origin of Replication and Translation, Philadelphia, PA (2004); Plenary Speaker, Society for Mathematical Biology and International Society of Computational Biology annual meeting, University of Michigan, Ann Arbor, MI (2004); Plenary Speaker, ACM Symposium on Computational Geometry, Brooklyn Polytechnic, New York, NY (2004); Distinguished Lecture Series, Department of Computer Science, University of Illinois, Champaign/Urbana, IL (2004); NSF with UK (EPSRC) Joint Conference of High Speed Computing in the 21st Century, with Focus on Materials and Biological Applications, Washington, D.C (2004); 12th Annual Bud Suddath Bioscience Symposium, Computational Biology (2004); Accelerating Dynamical Simulations, SIMU CECAM Workshop, Lyons, France (2004); Biophysics Colloquium, Columbia University, New York, NY (2004); Biophysical Society Annual Meeting, Symposium on Applied Biocomputations and Long Time Scales, Baltimore, MD (2004); Levich Institute Seminar, IGERT Lecture Series on Soft Materials, City College of CUNY, New York, NY (2003); Rensselaer Polytechnic Institute, Interdisciplinary Seminar, Troy, NY (2003); New Colloquium Series: Interdisciplinary Research in the Life Sciences, Physical Chemistry Division of the Chemistry Department and the Molecular and Computational Biology Division of the Department of Biological Studies, University of Southern California, Los Angeles, CA (2003); Distinguished Speaker, Symposium on Computing in Chemistry, The Institute for Scientific Computing (Director William H. Hase), Wayne State University, Detroit, MI (2003); American Society Meeting, Frontiers in DNA Research: An Interdisciplinary Symposium, Computers in Chemistry (COMP) section with co-sponsorship by the Biological Sciences (BIOL) and Medicinal Chemistry (MEDI) divisions, New York, NY (2003); SciCADE03: Scientific Computing and Differential Equations), Minisymposium on Molecular Dynamics, Trondheim, Norway (2003); Howard Hughes Summer School Faculty Lecture, Department of Biology, New York University, New York, NY (2003); Faculty Lecturer, NSF Summer School on Theoretical and Computational Biophysics: Computational Approaches for Simulation of Biological Systems Sponsored by the Theoretical and Computational Biophysics Group (Director Klaus Schulten), University of Illinois at Urbana-Champaign, IL (2003); Applied Mathematics Colloquium, Courant Institute of Mathematical Sciences, New York University, New York, NY (2003); Chemistry and Biochemistry Colloquium, City College of CUNY, New York, NY (2003); Understanding Physical Chemistry of Biomolecular Motors, Physical Chemistry Symposium (Q. Cui and C. Bustamante, Organizers), American Chemical Society National Meeting, New Orleans, LA (2003); Computer in Chemistry Division (H. Carlson, Organizer), American Chemical Society National Meeting, New Orleans, LA (2003); Mathematical and Computational Approaches to Biomolecular Simulations, Mathematical Sciences Research Institute, University of California at Berkeley, Berkeley, CA (2003); Modeling and Simulation for Material Program on Mathematics in Nanoscale Science and Engineering, Institute for Pure and Applied Mathematics (IPAM), University of California at Los Angeles, Los Angeles, CA (2002); New York Academy of Sciences, Bioinformatics/Computational Biology Group, New York, NY (2002); Computational Science and Engineering minisymposium, SIAM 50th Annual meeting, Philadelphia, PA (2002); Dynamics of Proteins on a Continuous Energy Landscape, CECAM workshop, Lyon, France (2002); Symposium in Remembrance of Peter A. Kollman, American Chemical Society (ACS) Computers in Chemistry Division, ACS National Meeting, Orlando, FL (2002); Molecular Simulations in Structural Biology and Drug Discovery, Symposium in memory of Peter Kollman, University of California, San Francisco, CA (2002); Frontiers of Structural Biology, Keystone Symposium, Breckenridge, CO (2002); Mathematics and Molecular Biology VII: Modeling Across the Scales --- Atoms to Organisms, Program in Mathematics and Biology, Santa Fe, NM (2002)