Investigating drug-target association and dissociation mechanisms using metadynamics-based algorithms

Accounts of Chemical Research

Volumn 48, Issue 2, 2015, Pages 277-285

  Cavalli, Andrea ^a,b   Spitaleri, Andrea ^b   Saladino, Giorgio ^c   Gervasio, Francesco L ^c  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b ISTITUTO ITALIANO DI TECNOLOGIA   (Italy)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DRUG; PROTEIN;

ALGORITHM; BIOLOGY; CHEMISTRY; DRUG DEVELOPMENT; HUMAN; METABOLISM; PROCEDURES;

ALGORITHMS; COMPUTATIONAL BIOLOGY; DRUG DISCOVERY; HUMANS; PHARMACEUTICAL PREPARATIONS; PROTEINS;

EID: 84923072401     PISSN: 00014842     EISSN: 15204898     Source Type: Journal    
DOI: 10.1021/ar500356n     Document Type: Review

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