Towards Ligand Docking Including Explicit Interface Water Molecules

PLoS ONE

Volumn 8, Issue 6, 2013, Pages

  Lemmon, Gordon ^a,b   Meiler, Jens ^a,b  

^a VANDERBILT UNIVERSITY SCHOOL OF MEDICINE   (United States)

^b VANDERBILT UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITOR; WATER;

ARTICLE; BINDING AFFINITY; BINDING KINETICS; BINDING SITE; COMPLEX FORMATION; CONTROLLED STUDY; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR INTERACTION; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN STRUCTURE; QUALITY CONTROL; ROSETTA LIGAND BINDING; STRUCTURE ANALYSIS; WATER ANALYSIS; WATER STRUCTURE;

BINDING SITES; HIV PROTEASE; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; PROTEASE INHIBITORS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; WATER;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 84879518297     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0067536     Document Type: Article

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