On the polarization of ligands by proteins-Reference-Cited by-同舟云学术

On the polarization of ligands by proteins

Published:2020 Issue:21 Volume:22 Page:12044-12057
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Willow Soohaeng Yoo¹²³⁴,Xie Bing¹²³⁴,Lawrence Jason⁵²³⁴,Eisenberg Robert S.⁶²³⁴^ORCID,Minh David D. L.¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry

2. Illinois Institute of Technology

3. Chicago

4. USA

5. Department of Computer Science

6. Department of Applied Mathematics

Abstract

The ligand polarization energy is evaluated for 286 crystallographic complexes from the PDBBind Core Set. It is found to be a substantial and variable highly fraction of the total protein–ligand interaction energy.

Funder

National Institute of General Medical Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP00376J

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