Use of Experimental Design To Optimize Docking Performance: The Case of LiGenDock, the Docking Module of Ligen, a New De Novo Design Program
Author:
Affiliation:
1. Dipartimento di Farmacia, Università degli Studi di Parma, Viale Area delle Scienze, 27/A, 43124 Parma, Italy
2. Dompé S.p.A., Via Campo di Pile, 67100 L’Aquila, Italy
3. CINECA, Via Magnanelli 6/3, 40033 Casalecchio di Reno (BO), Italy
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci400079k
Reference56 articles.
1. Docking and scoring in virtual screening for drug discovery: methods and applications
2. Molecular Recognition and Docking Algorithms
3. Molecular Docking Algorithms
4. Principles of docking: An overview of search algorithms and a guide to scoring functions
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