Sensitivity in Binding Free Energies Due to Protein Reorganization

Journal of Chemical Theory and Computation

Volumn 12, Issue 9, 2016, Pages 4620-4631

  Lim, Nathan M ^a   Wang, Lingle ^c   Abel, Robert ^c   Mobley, David L ^a,b  

^a Departments of Pharmaceutical Sciences   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c SCHRÖDINGER INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; LYSOZYME; PROTEIN BINDING;

ALGORITHM; BINDING SITE; CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; PROTEIN TERTIARY STRUCTURE; SITE DIRECTED MUTAGENESIS; THERMODYNAMICS;

ALGORITHMS; BINDING SITES; LIGANDS; MOLECULAR DYNAMICS SIMULATION; MURAMIDASE; MUTAGENESIS, SITE-DIRECTED; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; THERMODYNAMICS;

EID: 84987678235     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/acs.jctc.6b00532     Document Type: Article

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