M. Eastwood

发表

Supporting Online Material Materials and Methods Figs. S1 to S10 Table S1 References Movies S1 to S3 Atomic-level Characterization of the Structural Dynamics of Proteins

Joseph A. Bank, J. A. Bank, R. Dror, 2022 .

Microsecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteins.

R. Dror, R. Friesner, K. Lindorff-Larsen, 2008, The journal of physical chemistry. B.

Assessment of the utility of contact‐based restraints in accelerating the prediction of protein structure using molecular dynamics simulations

D. Shaw, S. Piana, M. Eastwood, 2015, Protein science : a publication of the Protein Society.

Systematic Validation of Protein Force Fields against Experimental Data

R. Dror, K. Lindorff-Larsen, D. Shaw, 2012, PloS one.

Gaussian split Ewald: A fast Ewald mesh method for molecular simulation.

R. Dror, D. Shaw, M. Eastwood, 2005, The Journal of chemical physics.

Associative memory hamiltonians for structure prediction without homology: alpha-helical proteins.

Michael C. Prentiss, P. Wolynes, Z. Luthey-Schulten, 2000, Proceedings of the National Academy of Sciences of the United States of America.

Water in protein structure prediction.

P. Wolynes, Z. Luthey-Schulten, M. Eastwood, 2004, Proceedings of the National Academy of Sciences of the United States of America.

Minimizing thermodynamic length to select intermediate states for free-energy calculations and replica-exchange simulations.

Michael P Eastwood, Ron O Dror, Huafeng Xu, 2009, Physical review. E, Statistical, nonlinear, and soft matter physics.

Statistical mechanical refinement of protein structure prediction schemes. II. Mayer cluster expansion approach

P. Wolynes, Z. Luthey-Schulten, M. Eastwood, 2003 .

Associative memory Hamiltonians for structure prediction without homology: α/β proteins

Michael C. Prentiss, P. Wolynes, M. Eastwood, 2000, Proceedings of the National Academy of Sciences of the United States of America.

Improving Molecular Mechanics Force Fields By Comparison Of Microsecond Simulations With Nmr Experiments

R. Dror, K. Lindorff-Larsen, D. Shaw, 2009 .

Oncogenic Mutations Counteract Intrinsic Disorder in the EGFR Kinase and Promote Receptor Dimerization

Eric T. Kim, R. Dror, J. Jumper, 2012, Cell.

Folding funnels: The key to robust protein structure prediction

Zaida Luthey-Schulten, Peter G. Wolynes, Michael P. Eastwood, 2002, J. Comput. Chem..

A conserved protonation-dependent switch controls drug binding in the Abl kinase

R. Dror, M. Jensen, D. Shaw, 2009, Proceedings of the National Academy of Sciences.

How does a drug molecule find its target binding site?

Eric T. Kim, R. Dror, D. Shaw, 2011, Journal of the American Chemical Society.

Atomic-level simulation of current–voltage relationships in single-file ion channels

Michael P. Eastwood, Morten Ø. Jensen, Vishwanath Jogini, 2013, The Journal of general physiology.

Anton, a special-purpose machine for molecular dynamics simulation

J. P. Grossman, Martin M. Deneroff, Richard H. Larson, 2008, CACM.

Millisecond-scale molecular dynamics simulations on Anton

J. P. Grossman, Joseph A. Bank, Martin M. Deneroff, 2009, Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis.

Rotational relaxation in ortho-terphenyl: using atomistic simulations to bridge theory and experiment.

Albert C. Pan, T. Chitra, J. Jumper, 2013, The journal of physical chemistry. B.

Ice Nucleation on Soot Particles

M. Eastwood, Liangfeng Sun, A. Bertram, 2002 .

Millisecond-scale molecular dynamics simulations on Anton

J. P. Grossman, Joseph A. Bank, Martin M. Deneroff, 2009, Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis.

Insulating Phases of the d = ∞ Hubbard model

M. Eastwood, D. E. Logan, Michael A. Tusch, 2022 .

Analytical and numerical treatment of the Mott-Hubbard insulator in infinite dimensions

M. Eastwood, S. Nishimoto, F. Gebhard, 2003, cond-mat/0303085.

A local moment approach to the Anderson model

M. Eastwood, D. E. Logan, Michael A. Tusch, 1998 .

Anton, a special-purpose machine for molecular dynamics simulation

J. P. Grossman, Martin M. Deneroff, Richard H. Larson, 2008, CACM.

Molecular dynamics - Scalable algorithms for molecular dynamics simulations on commodity clusters

John L. Klepeis, Edmond Chow, David E. Shaw, 2006, SC.

Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters

Federico D. Sacerdoti, Brent A. Gregersen, Mark A. Moraes, 2006, ACM/IEEE SC 2006 Conference (SC'06).

Anton, a special-purpose machine for molecular dynamics simulation

John L. Klepeis, J. P. Grossman, Brian Towles, 2007, ISCA '07.

Dynamic control of slow water transport by aquaporin 0: Implications for hydration and junction stability in the eye lens

R. Dror, M. Jensen, D. Shaw, 2008, Proceedings of the National Academy of Sciences.

Mechanism of Na+/H+ Antiporting

Brent A. Gregersen, R. Dror, K. Bowers, 2007, Science.

Architecture and Membrane Interactions of the EGF Receptor

Anton Arkhipov, John Kuriyan, Yibing Shan, 2013, Cell.

Refinement of protein structure homology models via long, all‐atom molecular dynamics simulations

Stefano Piana, Alpan Raval, Michael P Eastwood, 2012, Proteins.

Insulating phases of the Hubbard model

M. Eastwood, D. E. Logan, Michael A. Tusch, 1997 .

Principles of conduction and hydrophobic gating in K+ channels

Kresten Lindorff-Larsen, Michael P Eastwood, Ron O Dror, 2010, Proceedings of the National Academy of Sciences.

Statistical mechanical refinement of protein structure prediction schemes: Cumulant expansion approach

Peter G. Wolynes, Zaida Ann Luthey-Schulten, Michael P. Eastwood, 2002 .

Anton 3: Twenty Microseconds of Molecular Dynamics Simulation Before Lunch

Andrew G. Taube, J. P. Grossman, Joseph A. Bank, 2021, SC21: International Conference for High Performance Computing, Networking, Storage and Analysis.

Accurate and efficient integration for molecular dynamics simulations at constant temperature and pressure.

Kenneth M. Mackenzie, R. Dror, R. Lippert, 2013, The Journal of chemical physics.

Correction to How Does a Drug Molecule Find its Target Binding Site

Eric T. Kim, R. Dror, D. Shaw, 2014 .

Computationally efficient molecular dynamics integrators with improved sampling accuracy

David E. Shaw, Huafeng Xu, Kevin J. Bowers, 2012 .

A common, avoidable source of error in molecular dynamics integrators.

Michael P Eastwood, Ron O Dror, Istvan Kolossvary, 2007, The Journal of chemical physics.

Simulation studies of the fidelity of biomolecular structure ensemble recreation.

Peter G Wolynes, Michael P Eastwood, Joachim Lätzer, 2006, The Journal of chemical physics.

Atomic-Level Characterization of the Structural Dynamics of Proteins

Joseph A. Bank, J. A. Bank, R. Dror, 2010, Science.

Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations.

Stefano Piana, Willy Wriggers, Michael P Eastwood, 2009, Journal of chemical theory and computation.

Atomic-Level Characterization of the Structural Dynamics of Proteins

Joseph A. Bank, R. Dror, J. Salmon, 2010, Science.

Equipartition and the Calculation of Temperature in Biomolecular Simulations.

Michael P Eastwood, Ron O Dror, Kate A. Stafford, 2010, Journal of chemical theory and computation.

Rotational relaxation in ortho-terphenyl: using atomistic simulations to bridge theory and experiment.

Albert C. Pan, J. Jumper, D. Shaw, 2013, The journal of physical chemistry. B.

Evaluating protein structure-prediction schemes using energy landscape theory

Zaida Luthey-Schulten, Peter G. Wolynes, Michael P. Eastwood, 2001, IBM J. Res. Dev..

Role of explicitly cooperative interactions in protein folding funnels: A simulation study

Peter G. Wolynes, Michael P. Eastwood, P. Wolynes, 2001 .

Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters

Federico D. Sacerdoti, Brent A. Gregersen, Mark A. Moraes, 2006 .