Free energy calculations. The long and winding gilded road

Molecular Simulation

Volumn 28, Issue 1-2, 2002, Pages 1-12

  Chipot, Christophe ^a   Pearlman, David A ^b  

^a UNIVERSITÉ DE LORRAINE   (France)

^b VERTEX PHARMACEUTICALS   (United States)

Author keywords

Convergence, of calculated free energies; Errors, of calculated free energies; Free energy calculations; Statistical simulations

Indexed keywords

COMPUTATIONAL COMPLEXITY; COMPUTER SIMULATION; CONVERGENCE OF NUMERICAL METHODS; ERROR STATISTICS; NUMERICAL METHODS;

CALCULATED FREE ENERGY; CONVERGENCE; FREE ENERGY CALCULATION; STATISTICAL SIMULATIONS;

FREE ENERGY;

EID: 0037736706     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020211974     Document Type: Conference Paper

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