Results 371 to 380 of about 8,517,557 (393)

Water Dynamics in the Hydration Shells of Biomolecules

Chemical Reviews, 2017
Damien Laage, Thomas Elsaesser, James T Hynes   +2 more
exaly  

Ab Initio Nonadiabatic Quantum Molecular Dynamics

Chemical Reviews, 2018
Basile F E Curchod, Todd J Martinez
exaly  

GPCR Dynamics: Structures in Motion

Chemical Reviews, 2017
Naomi R Latorraca, A J Venkatakrishnan
exaly  

Constant pressure molecular dynamics simulation: The Langevin piston method

, 1995
S. Feller, Yuhong Zhang, R. Pastor, B. Brooks   +3 more
semanticscholar   +1 more source

Molecular dynamics

Current Biology, 1992
Julia M. Goodfellow, Mark A. Williams
openaire   +1 more source

Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics

Chemical Reviews, 2018
Rachel Crespo-Otero, Mario Barbatti
exaly  

Iterative minimization techniques for ab initio total energy calculations: molecular dynamics and co

, 1992
M. Payne, M. Teter, D. Allan, T. Arias, J. Joannopoulos   +4 more
semanticscholar   +1 more source

Molecular mechanisms of mitochondrial dynamics

Nature reviews. Molecular cell biology
Luis-Carlos Tábara, Mayuko Segawa, Julien Prudent   +2 more
semanticscholar   +1 more source

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald.

Journal of Chemical Theory and Computation, 2013
Romelia Salomón-Ferrer, A. Götz, D. Poole, S. Le Grand, R. Walker   +4 more
semanticscholar   +1 more source

Scripting in Molecular Dynamics

2019
Sumit Sharma, Pramod Kumar, Rakesh Chandra   +2 more
openaire   +1 more source