Physics-based scoring of protein-ligand interactions: Explicit polarizability, quantum mechanics and free energies

Future Medicinal Chemistry

Volumn 3, Issue 6, 2011, Pages 683-698

  Bryce, Richard A ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

HISTAMINE; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITOR; METALLOPROTEIN;

BINDING AFFINITY; BINDING SITE; COMPLEX FORMATION; COMPUTER AIDED DESIGN; COMPUTER SIMULATION; HIGH THROUGHPUT SCREENING; LIGAND BINDING; MATHEMATICAL MODEL; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; POLARIZATION; PRIORITY JOURNAL; PROTEIN INTERACTION; QUANTUM CHEMISTRY; QUANTUM MECHANICS; REVIEW; THERMODYNAMICS;

EID: 79955980720     PISSN: 17568919     EISSN: 17568927     Source Type: Journal    
DOI: 10.4155/fmc.11.30     Document Type: Review

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