Molecular Simulations of Aqueous Electrolyte Solubility:  1. The Expanded-Ensemble Osmotic Molecular Dynamics Method for the Solution Phase

2005 ◽  
Vol 109 (26) ◽  
pp. 12956-12965 ◽  
Author(s):  
Martin Lísal ◽  
William R. Smith ◽  
Jiří Kolafa
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Electrolyte ◽  
Molecular Simulations ◽  
Molecular Dynamics Method ◽  
Solution Phase ◽  
Dynamics Method ◽  
Expanded Ensemble

Study on Interactive Multi-resolution Molecular Dynamics Method

2000 ◽  
Vol 20 (1Supplement) ◽  
pp. 43-46
Author(s):  
Ken-ichi SAITOH ◽  
Takashi DOI ◽  
Masao KOMAYA ◽  
Takehiko INABA
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Method ◽  
Dynamics Method

Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins

2015 ◽  
Vol 119 (46) ◽  
pp. 14594-14603 ◽  
Author(s):  
Ole Juul Andersen ◽  
Julie Grouleff ◽  
Perri Needham ◽  
Ross C. Walker ◽  
Frank Jensen
Keyword(s):  
Molecular Dynamics ◽  
Conformational Changes ◽  
Molecular Dynamics Method ◽  
Enhanced Sampling ◽  
Dynamics Method
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