Calculation of protein-ligand binding free energy using smooth reaction path generation (SRPG) method: a comparison of the explicit water model, gb/sa model and docking score function.

Genome informatics. International Conference on Genome Informatics

Volumn 23, Issue 1, 2009, Pages 85-97

  Mitomo, Daisuke ^a   Fukunishi, Yoshifumi ^a   Higo, Junichi ^a   Nakamura, Haruki ^a  

^a Koto ku   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

WATER;

ARTICLE; COMPARATIVE STUDY; PROTEIN BINDING; THEORETICAL MODEL; THERMODYNAMICS;

MODELS, THEORETICAL; PROTEIN BINDING; THERMODYNAMICS; WATER;

MLCS; MLOWN;

EID: 77950869350     PISSN: 09199454     EISSN: None     Source Type: Journal    
DOI: 10.1142/9781848165632_0008     Document Type: Article

References (0)