Molecular dynamics of B-DNA including water and counterions: a 140-ps trajectory for d(CGCGAATTCGCG) based on the GROMOS force field

Molecular Dynamics Simulations of DNA with Protein's Consistent GROMOS Force Field and the Role of Counterions' Symmetry

Journal of the American Chemical Society ◽

10.1021/ja9641665 ◽

1997 ◽

Vol 119 (25) ◽

pp. 5934-5938 ◽

Cited By ~ 17

Author(s):

O. Tapia ◽

I. Velázquez

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Dynamics Simulations ◽

Molecular dynamics simulation of the proline conformational equilibrium and dynamics in antamanide using the GROMOS force field

Journal of the American Chemical Society ◽

10.1021/ja00064a041 ◽

1993 ◽

Vol 115 (11) ◽

pp. 4764-4768 ◽

Cited By ~ 31

Author(s):

R. M. Brunne ◽

W. F. van Gunsteren ◽

R. Brueschweiler ◽

R. R. Ernst

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Force Field ◽

Conformational Equilibrium ◽

Dynamics Simulation ◽

Parametrization of GROMOS force field for oligosaccharides and assessment of efficiency of molecular dynamics simulations

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(199606)17:8<1068::aid-jcc14>3.0.co;2-a ◽

1996 ◽

Vol 17 (8) ◽

pp. 1068-1084 ◽

Cited By ~ 59

Author(s):

Karl-Heinz Ott ◽

Bernd Meyer

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Dynamics Simulations ◽

Molecular dynamics simulations of membrane properties affected by plasma ROS based on the GROMOS force field

Biophysical Chemistry ◽

10.1016/j.bpc.2019.106214 ◽

2019 ◽

Vol 253 ◽

pp. 106214

Author(s):

Yujia Hu ◽

Tong Zhao ◽

Liang Zou ◽

Xiaolong Wang ◽

Yuantao Zhang

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Membrane Properties ◽

Dynamics Simulations ◽

Faculty Opinions recommendation of Developing a molecular dynamics force field for both folded and disordered protein states.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.733181116.793546863 ◽

2018 ◽

Author(s):

Francesco Gervasio

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Disordered Protein

Target SARS-CoV-2: computation of binding energies with drugs of dexamethasone/umifenovir by molecular dynamics using OPLS-AA force field

Research on Biomedical Engineering ◽

10.1007/s42600-020-00119-y ◽

2021 ◽

Author(s):

Sk. Md Nayeem ◽

Ershad Mohammed Sohail ◽

G. Ridhima ◽

M. Srinivasa Reddy

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Binding Energies

Molecular Dynamics Simulation of Silicon Dioxide Etching by Hydrogen Fluoride Using the Reactive Force Field

ACS Omega ◽

10.1021/acsomega.1c01824 ◽

2021 ◽

Author(s):

Dong Hyun Kim ◽

Seung Jae Kwak ◽

Jae Hun Jeong ◽

Suyoung Yoo ◽

Sang Ki Nam ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Silicon Dioxide ◽

Force Field ◽

Hydrogen Fluoride ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field

Molecular Dynamics Study of Aqueous Solution of Polyethylene Oxide: Critical Test of Force Field Models

Soft Materials ◽

10.1080/1539445x.2012.669221 ◽

2013 ◽

Vol 11 (4) ◽

pp. 371-383 ◽

Cited By ~ 11

Author(s):

Yong-Lei Wang ◽

Rochelle S. Lawrence ◽

Zhong-Yuan Lu ◽

Aatto Laaksonen

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Force Field ◽

Polyethylene Oxide ◽

Critical Test

A Molecular Dynamics Study of the Role of Adatoms in SAMs of Methylthiolate on Au(111): A New Force Field Parameterized from Ab Initio Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp301378x ◽

2012 ◽

Vol 116 (28) ◽

pp. 14883-14891 ◽

Cited By ~ 14

Author(s):

Gabriel S. Longo ◽

Somesh Kr. Bhattacharya ◽

Sandro Scandolo

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Ab Initio Calculations ◽

Ab Initio

New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations

RSC Advances ◽

10.1039/c4ra09897h ◽

2014 ◽

Vol 4 (89) ◽

pp. 48621-48631 ◽

Cited By ~ 9

Author(s):

Eleanor R. Turpin ◽

Sam Mulholland ◽

Andrew M. Teale ◽

Boyan B. Bonev ◽

Jonathan D. Hirst

Keyword(s):

Molecular Dynamics ◽

Amino Acid ◽

Force Field ◽

Amino Acid Residues ◽

Charmm Force Field ◽

Force Field Parameters ◽

Dynamics Simulations