Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set

Physical Chemistry Chemical Physics

Volumn 16, Issue 31, 2014, Pages 16719-16729

  Sun, Huiyong ^a,b   Li, Youyong ^a   Tian, Sheng ^a   Xu, Lei ^b   Hou, Tingjun ^a,b  

^a SOOCHOW UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND;

CONFORMATION; MOLECULAR DYNAMICS; PROTEIN DATABASE; REPRODUCIBILITY;

DATABASES, PROTEIN; LIGANDS; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; REPRODUCIBILITY OF RESULTS;

EID: 84904438047     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c4cp01388c     Document Type: Article

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