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MedusaDock 2.0: Efficient and Accurate Protein-Ligand Docking With Constraints

Molecular docking is the key ingredient of virtual drug screening, a promising and costeffective approach for finding new drugs. A critical limitation of this approach is the inadequate sampling efficiency of both ligand and/or receptor conformations for finding the lowest energy bound state. To cir...

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Bibliografische gegevens
Gepubliceerd in:J Chem Inf Model
Hoofdauteurs: Wang, Jian, Dokholyan, Nikolay V.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 2019
Onderwerpen:
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6597311/
https://ncbi.nlm.nih.gov/pubmed/30946779
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.8b00905
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