scholarly journals Benchmarking a Fast Proton Titration Scheme in Implicit Solvent for Biomolecular Simulations

2017 ◽  
Vol 13 (6) ◽  
pp. 2915-2929 ◽  
Author(s):  
Fernando Luís Barroso da Silva ◽  
Donal MacKernan
Keyword(s):  
Implicit Solvent ◽  
Fast Proton ◽  
Biomolecular Simulations

scholarly journals Recent advances in implicit solvent-based methods for biomolecular simulations

2008 ◽  
Vol 18 (2) ◽  
pp. 140-148 ◽  
Author(s):  
Jianhan Chen ◽  
Charles L Brooks ◽  
Jana Khandogin
Keyword(s):  
Implicit Solvent ◽  
Recent Advances ◽  
Biomolecular Simulations

An efficient hybrid explicit/implicit solvent method for biomolecular simulations

2004 ◽  
Vol 25 (16) ◽  
pp. 1967-1978 ◽  
Author(s):  
Michael S. Lee ◽  
Freddie R. Salsbury ◽  
Mark A. Olson
Keyword(s):  
Implicit Solvent ◽  
Solvent Method ◽  
Biomolecular Simulations

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
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