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Role of Molecular Dynamics and Related Methods in Drug Discovery
Work
Year: 2016
Type: article
Abstract: Molecular dynamics (MD) and related methods are close to becoming routine computational tools for drug discovery. Their main advantage is in explicitly treating structural flexibility and entropic eff... more
Source: Journal of Medicinal Chemistry
Authors Marco De Vivo, Matteo Masetti, Giovanni Bottegoni, Andrea Cavalli
Institutions Italian Institute of Technology, Forschungszentrum Jülich, University of Bologna
Cites: 246
Cited by: 1,004
Related to: 10
FWCI: 61.08
Citation percentile (by year/subfield): 99.99
Topic: Computational Drug Discovery Methods
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: bronze
Funders Ministero dell’Istruzione, dell’Università e della Ricerca, Associazione Italiana per la Ricerca sul Cancro, Università di Bologna, Istituto Italiano di Tecnologia