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Ligand docking and binding site analysis with PyMOL and Autodock/Vina

Docking of small molecule compounds into the binding site of a receptor and estimating the binding affinity of the complex is an important part of the structure-based drug design process. For a thorough understanding of the structural principles that determine the strength of a protein/ligand comple...

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Detalhes bibliográficos
Main Authors: Seeliger, Daniel, de Groot, Bert L.
Formato: Artigo
Idioma:Inglês
Publicado em: Springer Netherlands 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2881210/
https://ncbi.nlm.nih.gov/pubmed/20401516
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-010-9352-6
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