mkgridXf: Consistent Identification of Plausible Binding Sites Despite the Elusive Nature of Cavities and Grooves in Protein Dynamics-Reference-Cited by-同舟云学术

mkgridXf: Consistent Identification of Plausible Binding Sites Despite the Elusive Nature of Cavities and Grooves in Protein Dynamics

Published:2019-07-09 Issue:8 Volume:59 Page:3506-3518
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Monet Damien¹²^ORCID,Desdouits Nathan¹²^ORCID,Nilges Michael¹^ORCID,Blondel Arnaud¹^ORCID

Affiliation:

1. Unité de Bioinformatique Structurale, Département de Biologie Structurale et Chimie, CNRS-UMR 3528, CNRS-USR 3756, Institut Pasteur, 28 rue du Dr. Roux, 75015 Paris, France

2. Sorbonne Université, Collège doctoral, ED515 - Complexité du Vivant, 75005 Paris, France

Funder

AXA Research Fund

Agence Nationale de la Recherche

H2020 Health

Institut Pasteur

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/acs.jcim.9b00103

Reference62 articles.

1. Thermodynamics of Protein–Ligand Interactions: History, Presence, and Future Aspects

2. Insights into Protein–Ligand Interactions: Mechanisms, Models, and Methods

3. Anatomy of protein pockets and cavities: Measurement of binding site geometry and implications for ligand design

4. The Process of Structure-Based Drug Design

5. Keynote review: Structural biology and drug discovery

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