Potentials of mean force for biomolecular simulations: Theory and test on alanine dipeptide

1996 ◽  
Vol 104 (21) ◽  
pp. 8639-8648 ◽  
Author(s):  
Matteo Pellegrini ◽  
Niels Gro/nbech‐Jensen ◽  
Sebastian Doniach
Keyword(s):  
Potentials Of Mean Force ◽  
Biomolecular Simulations ◽  
Alanine Dipeptide

Comparison of Continuum and Explicit Models of Solvation:  Potentials of Mean Force for Alanine Dipeptide

1996 ◽  
Vol 100 (5) ◽  
pp. 1439-1441 ◽  
Author(s):  
Tami J. Marrone ◽  
Michael K. Gilson ◽  
J. Andrew McCammon
Keyword(s):  
Potentials Of Mean Force ◽  
Alanine Dipeptide

Long-range electrostatic effects in biomolecular simulations

1997 ◽  
Vol 94 ◽  
pp. 1346-1364 ◽  
Author(s):  
TA Darden ◽  
A Toukmaji ◽  
LG Pedersen
Keyword(s):  
Long Range ◽  
Electrostatic Effects ◽  
Biomolecular Simulations

Docking and Biomolecular Simulations on Computer Grids: Status and Trends

2008 ◽  
Vol 4 (3) ◽  
pp. 235-249 ◽  
Author(s):  
Alexandru-Adrian Tantar ◽  
Sebastien Conilleau ◽  
Benjamin Parent ◽  
Nouredine Melab ◽  
Lorraine Brillet ◽  
...  
Keyword(s):  
Status And Trends ◽  
Biomolecular Simulations

scholarly journals Using Open Data to Rapidly Benchmark Biomolecular Simulations: Phospholipid Conformational Dynamics

2021 ◽  
Vol 61 (2) ◽  
pp. 938-949
Author(s):  
Hanne S. Antila ◽  
Tiago M. Ferreira ◽  
O. H. Samuli Ollila ◽  
Markus S. Miettinen
Keyword(s):  
Conformational Dynamics ◽  
Open Data ◽  
Biomolecular Simulations
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