Framework-based design of a new all-purpose molecular simulation application: The Adun simulator

Journal of Computational Chemistry

Volumn 26, Issue 15, 2005, Pages 1647-1659

  Johnston, Michael A ^a   Galván, Ignacio Fdez ^b   Villà Freixa, Jordi ^a  

^a UNIVERSITAT POMPEU FABRA   (Spain)

^b UNIVERSITY OF EXTREMADURA   (Spain)

Author keywords

Adun simulator; Molecular simulation application

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; FREE ENERGY; PERTURBATION TECHNIQUES;

ADUN SIMULATORS; FREE-ENERGY PERTURBATION; MOLECULAR SIMULATION APPLICATION; MOLECULAR SIMULATORS;

MOLECULAR DYNAMICS;

ALGORITHM; ARTICLE; CHEMICAL MODEL; COMPUTER PROGRAM; COMPUTER SIMULATION; EQUIPMENT DESIGN;

ALGORITHMS; COMPUTER SIMULATION; EQUIPMENT DESIGN; MODELS, CHEMICAL; SOFTWARE;

EID: 27844442779     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20312     Document Type: Article

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