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Molecular Dynamics

Known as: Dynamics, Molecular, Dynamic, Molecular, Molecular Dynamic 
The science of simulating the motions of a system of particles. (Karplus and Petsko)
National Institutes of Health

Related topics

Related topics

3 relations
Models, MolecularNanotechnologymolecular modeling

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
Highly Cited
2017
Highly Cited
2017
Correction for Wu et al., Multiensemble Markov models of molecular thermodynamics and kinetics
Highly Cited
2010
Highly Cited
2010
PAPER www.rsc.org/softmatter | Soft Matter Mechanomutable properties of a PAA/PAH polyelectrolyte complex: rate dependence and ionization effects on tunable adhesion strength
  • 2010
  • Corpus ID: 7202775
Highly Cited
2007
Highly Cited
2007
Structure of a CH3S monolayer on Au(111) solved by the interplay between molecular dynamics calculations and diffraction measurements.
We have investigated the controversy surrounding the (sqrt[3] x sqrt[3]) R30 degrees structure of self-assembled monolayers of… 
Highly Cited
2007
Highly Cited
2007
Bond-order potential for transition metal carbide cluster for the growth simulation of a single-walled carbon nanotube
Highly Cited
2007
Highly Cited
2007
Detailed structure elucidation of the blast furnace slag by molecular dynamics simulation
The chemical structure of an amorphous slag with blast furnace composition was investigated by means of molecular dynamics… 
Highly Cited
2006
Highly Cited
2006
Stress-Induced Martensitic Phase Transformation in Intermetallic Nickel Aluminum Nanowires
Atomistic simulations are utilized to demonstrate a stress-induced martensitic phase transformation in intermetallic nickel… 
Highly Cited
2002
Highly Cited
2002
Genetically engineered gold-binding polypeptides: structure prediction and molecular dynamics
The biological control of inorganic crystal formation, morphology, and assembly is of interest to biologists and biotechnologists… 
Highly Cited
2002
Highly Cited
2002
Determination of a transition state at atomic resolution from protein engineering data.
Highly Cited
1994
Highly Cited
1994
Ab initio molecular dynamics with excited electrons.
A method to do ab initio molecular dynamics suitable for metallic and electronically hot systems is described. It is based on a… 
Highly Cited
1993
Highly Cited
1993
Solution structure of human insulin-like growth factor 1: a nuclear magnetic resonance and restrained molecular dynamics study.
The solution structure of human insulin-like growth factor 1 has been investigated with a combination of nuclear magnetic… 
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