Prediction of water positions in the binding sites of proteins based on collections of multi‐source heterogeneous atoms-Reference-Cited by-同舟云学术

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Prediction of water positions in the binding sites of proteins based on collections of multi‐source heterogeneous atoms

Published:2019-11-07 Issue:2 Volume:95 Page:224-232
ISSN:1747-0277
Container-title:Chemical Biology & Drug Design
language:en
Short-container-title:Chem Biol Drug Des

Author:

Xiao Wei¹^ORCID,Lu Lihua¹,Ji Chunlei¹,Yu Xiang¹,Qi Delin¹

Affiliation:

1. School of Electronic and Information Shanghai Dianji University Shanghai China

Funder

National Natural Science Foundation of China

Publisher

Wiley

Subject

Molecular Medicine,Biochemistry,Drug Discovery,Pharmacology,Organic Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1111/cbdd.13629

Reference20 articles.

1. Role of the Active-Site Solvent in the Thermodynamics of Factor Xa Ligand Binding

2. Do Structurally Similar Ligands Bind in a Similar Fashion?

3. Application and Limitations of X-ray Crystallographic Data in Structure-Based Ligand and Drug Design

4. WaterScore: a novel method for distinguishing between bound and displaceable water molecules in the crystal structure of the binding site of protein-ligand complexes

5. WATsite: Hydration site prediction program with PyMOL interface

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