VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening-Reference-Cited by-同舟云学术

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VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening

Published:2017-06-06 Issue:10 Volume:36 Page:1700023
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Gally José-Manuel¹,Bourg Stéphane¹,Do Quoc-Tuan²,Aci-Sèche Samia¹,Bonnet Pascal¹

Affiliation:

1. Institut de Chimie Organique et Analytique (ICOA); Université d'Orléans et CNRS, UMR7311; BP 6759, 55067 Orléans France

2. Greenpharma SAS.; 3, allée du Titane 45100 Orléans France

Funder

Fondation ARC pour la recherche sur le cancer

Région Centre Val de Loire and Greenpharma

Centre de Calcul Scientifique en région Centre-Val de Loire (CCSC)

French National Chemical Library

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Reference92 articles.

1. Trends in development cycles

2. Performance Studies on Distributed Virtual Screening

3. Virtual ligand screening: strategies, perspectives and limitations

4. Variability in docking success rates due to dataset preparation

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