The Application of Ligand-Mapping Molecular Dynamics Simulations to the Rational Design of Peptidic Modulators of Protein-Protein Interactions

Journal of Chemical Theory and Computation

Volumn 11, Issue 7, 2015, Pages 3199-3210

  Tan, Yaw Sing ^a,b   Spring, David R ^a   Abell, Chris ^a   Verma, Chandra S ^b,c,d  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b BIOINFORMATICS INSTITUTE   (Singapore)

^c NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^d NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

AURORA A KINASE; BENZENE; LIGAND; PEPTIDE; PROTEIN BINDING; SOLVENT; WATER;

ANTAGONISTS AND INHIBITORS; CHEMICAL PHENOMENA; CHEMISTRY; DRUG EFFECTS; HUMAN; MOLECULAR DYNAMICS; SYNTHESIS;

AURORA KINASE A; BENZENE; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; PROTEIN BINDING; SOLVENTS; WATER;

EID: 84942596171     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct5010577     Document Type: Article

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