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Peter K. Eastman, Ph.D. - Publications

Affiliations: 
2000 Stanford University, Palo Alto, CA 
Area:
theoretical condensed matter physics, application of synchrotron radiation to structural studies of biological systems
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24 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Pelaez RP, Simeon G, Galvelis R, Mirarchi A, Eastman P, Doerr S, Thölke P, Markland TE, De Fabritiis G. TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations. Journal of Chemical Theory and Computation. PMID 38743033 DOI: 10.1021/acs.jctc.4c00253  0.308
2024 Pelaez RP, Simeon G, Galvelis R, Mirarchi A, Eastman P, Doerr S, Thölke P, Markland TE, Fabritiis G. TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations. Arxiv. PMID 38463504  0.315
2023 Galvelis R, Varela-Rial A, Doerr S, Fino R, Eastman P, Markland TE, Chodera JD, De Fabritiis G. NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics. Journal of Chemical Information and Modeling. 63: 5701-5708. PMID 37694852 DOI: 10.1021/acs.jcim.3c00773  0.323
2018 Mobley DL, Bannan CC, Rizzi A, Bayly CI, Chodera JD, Lim VT, Lim NM, Beauchamp KA, Slochower DR, Shirts MR, Eastman PK. Escaping atom types in force fields using direct chemical perception. Journal of Chemical Theory and Computation. PMID 30351006 DOI: 10.1021/Acs.Jctc.8B00640  0.342
2018 Huang J, Lemkul JA, Eastman PK, MacKerell AD. Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks. Journal of Computational Chemistry. PMID 29727037 DOI: 10.1002/Jcc.25339  0.452
2017 Eastman P, Swails J, Chodera JD, McGibbon RT, Zhao Y, Beauchamp KA, Wang LP, Simmonett AC, Harrigan MP, Stern CD, Wiewiora RP, Brooks BR, Pande VS. OpenMM 7: Rapid development of high performance algorithms for molecular dynamics. Plos Computational Biology. 13: e1005659. PMID 28746339 DOI: 10.1371/Journal.Pcbi.1005659  0.422
2017 Zhang B, Kilburg D, Eastman P, Pande VS, Gallicchio E. Efficient gaussian density formulation of volume and surface areas of macromolecules on graphical processing units. Journal of Computational Chemistry. PMID 28160511 DOI: 10.1002/Jcc.24745  0.384
2017 Harrigan MP, Sultan MM, Hernández CX, Husic BE, Eastman P, Schwantes CR, Beauchamp KA, McGibbon RT, Pande VS. MSMBuilder: Statistical Models for Biomolecular Dynamics. Biophysical Journal. 112: 10-15. PMID 28076801 DOI: 10.1016/J.Bpj.2016.10.042  0.415
2016 Albaugh A, Boateng HA, Bradshaw RT, Demerdash ON, Dziedzic J, Mao Y, Margul DT, Swails JM, Zeng Q, Case DA, Eastman PK, Essex JW, Head-Gordon M, Pande VS, Ponder JW, et al. Advanced Potential Energy Surfaces for Molecular Simulation. The Journal of Physical Chemistry. B. PMID 27513316 DOI: 10.1021/Acs.Jpcb.6B06414  0.427
2015 Lee J, Cheng X, Swails JM, Yeom MS, Eastman PK, Lemkul JA, Wei S, Buckner J, Jeong JC, Qi Y, Jo S, Pande VS, Case DA, Brooks CL, MacKerell AD, et al. CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field. Journal of Chemical Theory and Computation. PMID 26631602 DOI: 10.1021/Acs.Jctc.5B00935  0.401
2015 Eastman P, Pande VS. OpenMM: A Hardware Independent Framework for Molecular Simulations. Computing in Science & Engineering. 12: 34-39. PMID 26146490 DOI: 10.1109/Mcse.2010.27  0.38
2014 Wang L, Head-Gordon T, Ponder J, Ren P, Chodera J, Eastman P, Martinez TJ, Pande VS. Systematic Improvement on the Classical Molecular Model of Water Biophysical Journal. 106: 403a. DOI: 10.1016/J.Bpj.2013.11.2273  0.319
2013 Lindert S, Bucher D, Eastman P, Pande V, McCammon JA. Accelerated Molecular Dynamics Simulations with the AMOEBA Polarizable Force Field on Graphics Processing Units. Journal of Chemical Theory and Computation. 9: 4684-4691. PMID 24634618 DOI: 10.1021/Ct400514P  0.448
2013 Wang LP, Head-Gordon T, Ponder JW, Ren P, Chodera JD, Eastman PK, Martinez TJ, Pande VS. Systematic improvement of a classical molecular model of water. The Journal of Physical Chemistry. B. 117: 9956-72. PMID 23750713 DOI: 10.1021/Jp403802C  0.315
2013 Eastman P, Friedrichs MS, Chodera JD, Radmer RJ, Bruns CM, Ku JP, Beauchamp KA, Lane TJ, Wang LP, Shukla D, Tye T, Houston M, Stich T, Klein C, Shirts MR, et al. OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation. Journal of Chemical Theory and Computation. 9: 461-469. PMID 23316124 DOI: 10.1021/Ct300857J  0.366
2011 Flores SC, Sherman MA, Bruns CM, Eastman P, Altman RB. Fast flexible modeling of RNA structure using internal coordinates. Ieee/Acm Transactions On Computational Biology and Bioinformatics / Ieee, Acm. 8: 1247-57. PMID 21778523 DOI: 10.1109/Tcbb.2010.104  0.417
2010 Seth A, Sherman M, Eastman P, Delp S. Minimal formulation of joint motion for biomechanisms. Nonlinear Dynamics. 62: 291-303. PMID 21170173 DOI: 10.1007/S11071-010-9717-3  0.317
2010 Eastman P, Pande VS. CCMA: A Robust, Parallelizable Constraint Method for Molecular Simulations. Journal of Chemical Theory and Computation. 6: 434-437. PMID 20563234 DOI: 10.1021/Ct900463W  0.438
2010 Eastman P, Pande VS. Efficient nonbonded interactions for molecular dynamics on a graphics processing unit. Journal of Computational Chemistry. 31: 1268-72. PMID 19847780 DOI: 10.1002/Jcc.21413  0.454
2009 Friedrichs MS, Eastman P, Vaidyanathan V, Houston M, Legrand S, Beberg AL, Ensign DL, Bruns CM, Pande VS. Accelerating molecular dynamic simulation on graphics processing units. Journal of Computational Chemistry. 30: 864-72. PMID 19191337 DOI: 10.1002/Jcc.21209  0.474
2001 Eastman P, Grønbech-Jensen N, Doniach S. Simulation of protein folding by reaction path annealing Journal of Chemical Physics. 114: 3823-3841. DOI: 10.1063/1.1342162  0.506
1999 Doniach S, Eastman P. Protein dynamics simulations from nanoseconds to microseconds. Current Opinion in Structural Biology. 9: 157-63. PMID 10322213 DOI: 10.1016/S0959-440X(99)80022-0  0.57
1999 Eastman P, Pellegrini M, Doniach S. Protein flexibility in solution and in crystals Journal of Chemical Physics. 110: 10141-10152. DOI: 10.1063/1.478887  0.516
1998 Eastman P, Doniach S. Multiple time step diffusive Langevin dynamics for proteins. Proteins. 30: 215-27. PMID 9517537 DOI: 10.1002/(Sici)1097-0134(19980215)30:3<215::Aid-Prot1>3.0.Co;2-J  0.56
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