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CrystalDock: A Novel Approach to Fragment-Based Drug Design

We present a novel algorithm called CrystalDock that analyzes a molecular pocket of interest and identifies potential binding fragments. The program first identifies groups of pocket-lining receptor residues (i.e., microenvironments) and then searches for geometrically similar microenvironments pres...

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Bibliografiske detaljer
Main Authors: Durrant, Jacob D., Friedman, Aaron J., McCammon, J. Andrew
Format: Artigo
Sprog:Inglês
Udgivet: 2011
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3206965/
https://ncbi.nlm.nih.gov/pubmed/21910501
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci200357y
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