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DOCK 6: Impact of New Features and Current Docking Performance

This manuscript presents the latest algorithmic and methodological developments to the structure-based design program DOCK 6.7 focused on an updated internal energy function, new anchor selection control, enhanced minimization options, a footprint similarity scoring function, a symmetry-corrected RM...

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Detalhes bibliográficos
Publicado no:J Comput Chem
Main Authors: Allen, William J., Balius, Trent E., Mukherjee, Sudipto, Brozell, Scott R., Moustakas, Demetri T., Lang, P. Therese, Case, David A., Kuntz, Irwin D., Rizzo, Robert C.
Formato: Artigo
Idioma:Inglês
Publicado em: 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4469538/
https://ncbi.nlm.nih.gov/pubmed/25914306
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23905
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