Results 351 to 360 of about 8,517,557 (393)

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

Polymorphic transitions in single crystals: A new molecular dynamics method

, 1981
M. Parrinello, A. Rahman
semanticscholar   +1 more source

Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium.

Physical Review B (Condensed Matter), 1994
G. Kresse, J. Hafner
semanticscholar   +1 more source

Molecular dynamics—VI

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

Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes

, 1977
J. Ryckaert, G. Ciccotti, H. Berendsen
semanticscholar   +1 more source

A molecular dynamics method for simulations in the canonical ensemble

, 1984
S. Nosé
semanticscholar   +1 more source

GROMACS: A message-passing parallel molecular dynamics implementation

, 1995
H. Berendsen, D. Spoel, R. V. Drunen
semanticscholar   +1 more source

The cell biology of mitochondrial membrane dynamics

Nature Reviews Molecular Cell Biology, 2020
Marta Giacomello, Aswin Pyakurel, Christina Glytsou   +2 more
exaly  

Integrating evolutionary dynamics into cancer therapy

Nature Reviews Clinical Oncology, 2020
Robert A Gatenby, Joel S Brown
exaly  

Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters

International Conference on Software Composition, 2006
K. Bowers, Edmond Chow, Huafeng Xu, R. Dror, M. Eastwood, Brent A. Gregersen, J. L. Klepeis, I. Kolossváry, Mark A. Moraes, Federico D. Sacerdoti, J. Salmon, Yibing Shan, D. Shaw   +12 more
semanticscholar   +1 more source