Results 281 to 290 of about 6,867,350 (304)

Molecular Graphics and Molecular Dynamics

1987
The development of molecular graphics techniques has had a significant impact on a large number of scientific disciplines as diverse as molecular biology and theoretical chemistry. This is demonstrated by the increasing number of laboratories that use high performance computer graphics systems as an integral part of their research ( 1).
openaire   +1 more source

Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials

Chemical Reviews, 2020
Dima Mozyrsky, Ben Nebgen, Sergei Tretiak   +2 more
exaly  

Molecular dynamics—VI

Tetrahedron, 1972
Ch. Brevard, J.P. Kintzinger, J.M. Lehn
openaire   +1 more source

The current state of molecular testing in the treatment of patients with solid tumors, 2019

Ca-A Cancer Journal for Clinicians, 2019
Edward Kim, John Marshall, Jubilee Brown   +2 more
exaly  

Molecular Dynamics:  Survey of Methods for Simulating the Activity of Proteins

Chemical Reviews, 2006
J Andrew McCammon
exaly  

Molecular cancer prevention: Current status and future directions

Ca-A Cancer Journal for Clinicians, 2015
Kenneth Y Tsai, Powel Brown, Eva Szabó   +2 more
exaly  

Dynamics of entangled linear polymer melts:  A molecular‐dynamics simulation

Journal of Chemical Physics, 1990
Gary Grest, Kurt Kremer
exaly  

Constant pressure molecular dynamics simulation: The Langevin piston method

Journal of Chemical Physics, 1995
Richard Pastor, Bernard Brooks
exaly  

Scripting in Molecular Dynamics

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

A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity

Journal of Chemical Physics, 1997
Florian Müller-Plathe
exaly