Ligand-Binding-Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo Structures-Reference-Cited by-同舟云学术

Ligand-Binding-Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo Structures

Published:2020-12-18 Issue:1 Volume:61 Page:535-546
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Guterres Hugo¹^ORCID,Park Sang-Jun¹^ORCID,Jiang Wei²^ORCID,Im Wonpil¹^ORCID

Affiliation:

1. Departments of Biological Sciences, Chemistry, Bioengineering, and Computer Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States

2. Computational Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States

Funder

National Institute of General Medical Sciences

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.0c01354

Reference61 articles.

1. Conformational Changes Observed in Enzyme Crystal Structures upon Substrate Binding

2. How Different are Structurally Flexible and Rigid Binding Sites? Sequence and Structural Features Discriminating Proteins that Do and Do not Undergo Conformational Change upon Ligand Binding

3. What is the relationship between the global structures of apo and holo proteins?

4. Inherent versus induced protein flexibility: Comparisons within and between apo and holo structures

5. Strain in protein structures as viewed through nonrotameric side chains: II. effects upon ligand binding

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