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

24/67 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  0.379
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  0.416
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  0.316
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  0.473
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
Low-probability matches (unlikely to be authored by this person)
2000 Nishimura C, Riley R, Eastman P, Fink AL. Fluorescence energy transfer indicates similar transient and equilibrium intermediates in staphylococcal nuclease folding. Journal of Molecular Biology. 299: 1133-1146. PMID 10843864 DOI: 10.1006/Jmbi.2000.3804  0.291
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. DOI: 10.1021/ct300857j  0.279
2023 Eastman P, Galvelis R, Peláez RP, Abreu CRA, Farr SE, Gallicchio E, Gorenko A, Henry MM, Hu F, Huang J, Krämer A, Michel J, Mitchell JA, Pande VS, Rodrigues JP, et al. OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. The Journal of Physical Chemistry. B. PMID 38154096 DOI: 10.1021/acs.jpcb.3c06662  0.277
2023 Eastman P, Galvelis R, Peláez RP, Abreu CRA, Farr SE, Gallicchio E, Gorenko A, Henry MM, Hu F, Huang J, Krämer A, Michel J, Mitchell JA, Pande VS, Rodrigues JP, et al. OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. Arxiv. PMID 37986730  0.277
2018 Eastman P, Shi J, Ramsundar B, Pande VS. Solving the RNA design problem with reinforcement learning. Plos Computational Biology. 14: e1006176. PMID 29927936 DOI: 10.1371/Journal.Pcbi.1006176  0.263
2023 Eastman P, Behara PK, Dotson DL, Galvelis R, Herr JE, Horton JT, Mao Y, Chodera JD, Pritchard BP, Wang Y, De Fabritiis G, Markland TE. SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials. Scientific Data. 10: 11. PMID 36599873 DOI: 10.1038/s41597-022-01882-6  0.244
2024 Eastman P, Pritchard BP, Chodera JD, Markland TE. Nutmeg and SPICE: Models and Data for Biomolecular Machine Learning. Journal of Chemical Theory and Computation. PMID 39318326 DOI: 10.1021/acs.jctc.4c00794  0.216
2023 Boby ML, Fearon D, Ferla M, Filep M, Koekemoer L, Robinson MC, Chodera JD, Lee AA, London N, von Delft A, von Delft F, Achdout H, Aimon A, Alonzi DS, Arbon R, ... ... Eastman P, et al. Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science (New York, N.Y.). 382: eabo7201. PMID 37943932 DOI: 10.1126/science.abo7201  0.15
1997 Liu RC, Eastman P, Yamamoto Y. Inhibition of elastic and inelastic scattering by the Pauli exclusion principle: Supperssion mechanism for mesoscopic partition noise Solid State Communications. 102: 785-789. DOI: 10.1016/S0038-1098(97)00099-9  0.118
2012 Eastman P, Pande V. Accelerating Development and Execution Speed with Just-in-Time GPU Code Generation Gpu Computing Gems Jade Edition. 399-407. DOI: 10.1016/B978-0-12-385963-1.00029-0  0.118
2018 Smallwood N, Thompson M, Warrender-Sparkes M, Eastman P, Le B, Irving L, Philip J. Integrated respiratory and palliative care may improve outcomes in advanced lung disease. Erj Open Research. 4. PMID 29707561 DOI: 10.1183/23120541.00102-2017  0.076
2020 Eastman P, Le B. The deteriorating patient representative on a palliative care quality committee: Ethical and practical considerations. Palliative & Supportive Care. 17: 735-737. PMID 30837017 DOI: 10.1017/S1478951519000026  0.067
2021 Eastman P, Dowd A, White J, Carter J, Ely M. Telehealth: rapid adoption in community palliative care due to COVID-19: patient and professional evaluation. Bmj Supportive & Palliative Care. PMID 34162584 DOI: 10.1136/bmjspcare-2021-002987  0.064
2019 Smallwood N, Moran T, Thompson M, Eastman P, Le B, Philip J. Integrated respiratory and palliative care leads to high levels of satisfaction: a survey of patients and carers. Bmc Palliative Care. 18: 7. PMID 30660204 DOI: 10.1186/s12904-019-0390-0  0.063
2025 Ferres M, Mounsey L, Chua J, Eastman P, Campbell D, Le B, Collins IM, Philip J. Palliative care clinical trials research in regional settings: green fields of opportunity. Internal Medicine Journal. 55: 173-174. PMID 39815668 DOI: 10.1111/imj.16618  0.061
2020 Philip J, Wiseman R, Eastman P, Li C, Smallwood N. Mapping non-malignant respiratory palliative care services in Australia and New Zealand. Australian Health Review : a Publication of the Australian Hospital Association. PMID 32943138 DOI: 10.1071/AH19206  0.061
2012 Lin E, Rosenthal MA, Le BH, Eastman P. Neuro-oncology and palliative care: a challenging interface. Neuro-Oncology. 14: iv3-7. PMID 23095828 DOI: 10.1093/neuonc/nos209  0.06
2020 Eastman P, Ko D, Le BH. Challenges in advance care planning: the interface between explicit instructional directives and palliative care. The Medical Journal of Australia. PMID 32535921 DOI: 10.5694/mja2.50653  0.06
2012 Eastman P, Martin P. Factors influencing survival after discharge from an Australian palliative care unit to residential aged care facilities: a retrospective audit. Journal of Palliative Medicine. 15: 327-33. PMID 22356643 DOI: 10.1089/jpm.2011.0319  0.055
2019 Le BH, Marston C, Kerley C, Eastman P. Facilitating the choice of dying at home or in residential care with the implementation of a palliative care rapid response team in a cancer centre and general hospital. Palliative Medicine. 33: 475-476. PMID 30688148 DOI: 10.1177/0269216318824273  0.053
2017 Le B, Eastman P, Vij S, McCormack F, Duong C, Philip J. Palliative care in general practice: GP integration in caring for patients with advanced cancer. Australian Family Physician. 46: 51-55. PMID 28189134  0.053
2017 Eastman P, Dowd A, Goonan J, Farrell H, Pitson G. Palliative radiotherapy utilization within a regional Australian palliative care unit. Annals of Palliative Medicine. PMID 29156914 DOI: 10.21037/apm.2017.09.07  0.051
2014 Eastman P, Dalton GW, Le B. What does state-level inpatient palliative care data tell us about service provision? Journal of Palliative Medicine. 17: 718-20. PMID 24597932 DOI: 10.1089/jpm.2013.0562  0.049
2016 Grant MP, Cardin A, O'Connor N, Eastman P. Examining Clinical Utility of Imaging for Inpatient Palliative Care. The American Journal of Hospice & Palliative Care. PMID 27006392 DOI: 10.1177/1049909116640524  0.048
2020 Politis J, Eastman P, Le B, Furler J, Irving L, Smallwood N. Managing Severe Chronic Breathlessness in Chronic Obstructive Pulmonary Disease Is Challenging for General Practitioners. The American Journal of Hospice & Palliative Care. 38: 472-479. PMID 32940530 DOI: 10.1177/1049909120959061  0.047
2019 Kim ML, Matheson L, Garrard B, Francis M, Broad A, Malone J, Eastman P, Rogers M, Yap CH. Use of clinical quality indicators to improve lung cancer care in a regional/rural network of health services. The Australian Journal of Rural Health. PMID 30945777 DOI: 10.1111/ajr.12493  0.047
2020 Dawson J, Le B, Eastman P. Australian Palliative Physicians' Perceptions of Clinician Performed Ultrasound Scanning. Journal of Palliative Medicine. 23: 4. PMID 31905086 DOI: 10.1089/jpm.2019.0373  0.045
2021 Vaughan VC, Harrison M, Dowd A, Eastman P, Martin P. Evaluation of a Multidisciplinary Cachexia and Nutrition Support Service- The Patient and Carers Perspective. Journal of Patient Experience. 8: 2374373520981476. PMID 34179355 DOI: 10.1177/2374373520981476  0.045
2021 Pitson G, Matheson L, Garrard B, Eastman P, Rogers M. Population-based analysis of radiotherapy and chemotherapy treatment in the last month of life within regional Australia. Internal Medicine Journal. 50: 596-602. PMID 31161700 DOI: 10.1111/imj.14377  0.043
2019 See D, Le B, Gorelik A, Eastman P. Symptom burden in malignant and non-malignant disease on admission to a palliative care unit. Bmj Supportive & Palliative Care. PMID 30723074 DOI: 10.1136/bmjspcare-2018-001560  0.042
2009 Eastman P. Antihypertensive prescribing--a survey of general practice supervisors and registrars. Australian Family Physician. 37: 969-71. PMID 19037476  0.042
2013 Eastman P, McCarthy G, Brand CA, Weir L, Gorelik A, Le B. Who, why and when: stroke care unit patients seen by a palliative care service within a large metropolitan teaching hospital. Bmj Supportive & Palliative Care. 3: 77-83. PMID 24644331 DOI: 10.1136/bmjspcare-2012-000331  0.038
2018 Kuruvilla L, Weeks G, Eastman P, George J. Medication management for community palliative care patients and the role of a specialist palliative care pharmacist: A qualitative exploration of consumer and health care professional perspectives. Palliative Medicine. 269216318777390. PMID 29793391 DOI: 10.1177/0269216318777390  0.038
2018 Mounsey L, Ferres M, Eastman P. Palliative care for the patient without cancer Australian Journal of General Practice. 47: 765-769. PMID 31207673  0.036
2017 To THM, LeBlanc TW, Eastman P, Neoh K, Agar MR, To LB, Rowett D, Vandersman Z, Currow DC. The Prospective Evaluation of the Net Effect of Red Blood Cell Transfusions in Routine Provision of Palliative Care. Journal of Palliative Medicine. PMID 28598239 DOI: 10.1089/jpm.2017.0072  0.033
2015 Eastman P, Le B. Underutilisation of Victorian in-patient palliative care consultation services? Results of an exploratory study. Australian Health Review : a Publication of the Australian Hospital Association. PMID 25863696 DOI: 10.1071/AH14256  0.032
2012 Eastman P, Le B. Palliative care after attempted suicide in the absence of premorbid terminal disease: a case series and review of the literature. Journal of Pain and Symptom Management. 45: 305-9. PMID 22841411 DOI: 10.1016/j.jpainsymman.2012.01.008  0.032
2023 Dowd A, Davies M, Short S, Morrison R, Spiller C, Carter J, Eastman P. Dying at home: enablers and barriers. International Journal of Palliative Nursing. 29: 326-333. PMID 37478061 DOI: 10.12968/ijpn.2023.29.7.326  0.032
2013 Eastman P, Le B, Pharaoh A. The establishment and initial outcomes of a palliative care bereavement service. Palliative Medicine. 26: 961-2. PMID 22995826 DOI: 10.1177/0269216312438931  0.03
2015 Eastman P, Le B, McCarthy G, Watt J, Rosenthal M. Uptake of clinical trials in a palliative care setting: a retrospective cohort study. Asia-Pacific Journal of Clinical Oncology. 11: 62-7. PMID 25471816 DOI: 10.1111/ajco.12321  0.029
2023 Wong AK, Hawke J, Eastman P, Buizen L, Le B. Does cancer type and adjuvant analgesic prescribing influence opioid dose?-a retrospective cross-sectional study. Annals of Palliative Medicine. PMID 37038083 DOI: 10.21037/apm-22-1296  0.029
2013 Farrell H, Eastman P. Risperidone-induced neutropenia: an adverse side-effect in the palliative management of delirium in a patient with lymphoma Bmj Supportive &Amp; Palliative Care. 3: 4-5. PMID 24644317 DOI: 10.1136/bmjspcare-2012-000348  0.02
2019 Eastman P, Currow DC, Fazekas B, Brown L, Le B. Oral dexamethasone in the management of cancer-related pain: A feasibility study. Palliative Medicine. 33: 477-478. PMID 30712474 DOI: 10.1177/0269216319827802  0.01
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