Assessing the Performance of MM/PBSA, MM/GBSA, and QM–MM/GBSA Approaches on Protein/Carbohydrate Complexes: Effect of Implicit Solvent Models, QM Methods, and Entropic Contributions-Reference-Cited by-同舟云学术

Assessing the Performance of MM/PBSA, MM/GBSA, and QM–MM/GBSA Approaches on Protein/Carbohydrate Complexes: Effect of Implicit Solvent Models, QM Methods, and Entropic Contributions

Published:2018-08-07 Issue:34 Volume:122 Page:8113-8121
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Mishra Sushil K.¹^ORCID,Koča Jaroslav¹

Affiliation:

1. Central European Institute of Technology (CEITEC), and National Centre for Biomolecular Research, Faculty of Science, Masaryk University, Kamenice-5, 625 00 Brno, Czech Republic

Funder

Ministerstvo Školství, Mládeže a Telovýchovy

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.8b03655

Reference44 articles.

1. Lectins: Carbohydrate-Specific Proteins That Mediate Cellular Recognition

2. Lectin-mediated drug targeting: history and applications

3. Carbohydrate-Protein Recognition: Molecular Dynamics Simulations and Free Energy Analysis of Oligosaccharide Binding to Concanavalin A

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