Colabind: A Cloud-Based Approach for Prediction of Binding Sites Using Coarse-Grained Simulations with Molecular Probes-Reference-Cited by-同舟云学术

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Colabind: A Cloud-Based Approach for Prediction of Binding Sites Using Coarse-Grained Simulations with Molecular Probes

Published:2024-03-21 Issue:13 Volume:128 Page:3211-3219
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Andreev Georgy¹,Kovalenko Max²^ORCID,Bozdaganyan Marine E.³,Orekhov Philipp S.³^ORCID

Affiliation:

1. Insilico Medicine AI Ltd., Masdar City 145748, United Arab Emirates

2. Division of Scientific Computing, Department of Information Technology, Uppsala University, Uppsala 752 37, Sweden

3. Faculty of Biology, Shenzhen MSU-BIT University, Shenzhen 518172, China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.3c07853

Reference56 articles.

1. Virtual screening strategies in drug discovery

2. SURFNET: A program for visualizing molecular surfaces, cavities, and intermolecular interactions

3. LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteins

4. The Automatic Search for Ligand Binding Sites in Proteins of Known Three-dimensional Structure Using only Geometric Criteria

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