Efficient Nonbonded Interactions for Molecular Dynamics on a Graphics Processing Unit

Por Eastman, Peter, Pande, Vijay S.
Publicado em 2010

CCMA: A Robust, Parallelizable Constraint Method for Molecular Simulations

Por Eastman, Peter, Pande, Vijay S.
Publicado em 2010

OpenMM: A Hardware Independent Framework for Molecular Simulations

Por Eastman, Peter, Pande, Vijay S.
Publicado no Comput Sci Eng (2010)

Minimal formulation of joint motion for biomechanisms

Por Seth, Ajay, Sherman, Michael, Eastman, Peter, Delp, Scott
Publicado em 2010

Neuro-oncology and palliative care: a challenging interface

Por Lin, Esther, Rosenthal, Mark A., Le, Brian H., Eastman, Peter
Publicado em 2012

Accelerated Molecular Dynamics Simulations with the AMOEBA Polarizable Force Field on Graphics Processing Units

Por Lindert, Steffen, Bucher, Denis, Eastman, Peter, Pande, Vijay, McCammon, J. Andrew
Publicado em 2013

Fast Flexible Modeling of RNA Structure Using Internal Coordinates

Por Flores, Samuel Coulbourn, Sherman, Michael A., Bruns, Christopher M., Eastman, Peter, Altman, Russ Biagio
Publicado no IEEE/ACM Trans Comput Biol Bioinform (2011)

Accelerating Molecular Dynamic Simulation on Graphics Processing Units

Por Friedrichs, Mark S., Eastman, Peter, Vaidyanathan, Vishal, Houston, Mike, Legrand, Scott, Beberg, Adam L., Ensign, Daniel L., Bruns, Christopher M., Pande, Vijay S.
Publicado em 2009

Systematic Improvement of a Classical Molecular Model of Water

Por Wang, Lee-Ping, Head-Gordon, Teresa, Ponder, Jay W., Ren, Pengyu, Chodera, John D., Eastman, Peter K., Martinez, Todd J., Pande, Vijay S.
Publicado em 2013

MSMBuilder: Statistical Models for Biomolecular Dynamics

Por Harrigan, Matthew P., Sultan, Mohammad M., Hernández, Carlos X., Husic, Brooke E., Eastman, Peter, Schwantes, Christian R., Beauchamp, Kyle A., McGibbon, Robert T., Pande, Vijay S.
Publicado no Biophys J (2017)

OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation

Por Eastman, Peter, Friedrichs, Mark S., Chodera, John D., Radmer, Randall J., Bruns, Christopher M., Ku, Joy P., Beauchamp, Kyle A., Lane, Thomas J., Wang, Lee-Ping, Shukla, Diwakar, Tye, Tony, Houston, Mike, Stich, Timo, Klein, Christoph, Shirts, Michael R., Pande, Vijay S.
Publicado em 2012

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

Por Lee, Jumin, Cheng, Xi, Swails, Jason M., Yeom, Min Sun, Eastman, Peter K., Lemkul, Justin A., Wei, Shuai, Buckner, Joshua, Jeong, Jong Cheol, Qi, Yifei, Jo, Sunhwan, Pande, Vijay S., Case, David A., Brooks, Charles L., MacKerell, Alexander D., Klauda, Jeffery B., Im, Wonpil
Publicado no J Chem Theory Comput (2015)