CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses-Reference-Cited by-同舟云学术

CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

Published:2009-08-20 Issue:9 Volume:5 Page:2353-2370
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Guvench Olgun¹,Hatcher Elizabeth¹,Venable Richard M.¹,Pastor Richard W.¹,MacKerell Alexander D.¹

Affiliation:

1. Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy, 20 Penn Street HSF II, Baltimore, Maryland 21201,and Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct900242e

Reference66 articles.

1. Conformations of disaccharides by empirical force-field calculations: Part I, β-maltose

2. Conformational analysis and molecular dynamics simulations of maltose

3. A molecular mechanical force field for the conformational analysis of oligosaccharides: comparison of theoretical and crystal structures of Man.alpha.1-3Man.beta.1-4GlcNAc

4. A CHARMm Based Force Field for Carbohydrates Using the CHEAT Approach: Carbohydrate Hydroxyl Groups Represented by Extended Atoms

Cited by 588 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Developing and Benchmarking Sulfate and Sulfamate Force Field Parameters via Ab Initio Molecular Dynamics Simulations To Accurately Model Glycosaminoglycan Electrostatic Interactions;Journal of Chemical Information and Modeling;2024-09-09

2. Molecular-level design of alternative media for energy-saving pilot-scale fibrillation of nanocellulose;Proceedings of the National Academy of Sciences;2024-09-05

3. Simulation-driven design of stabilized SARS-CoV-2 spike S2 immunogens;Nature Communications;2024-08-27

4. Effective Inclusion of Electronic Polarization Improves the Description of Electrostatic Interactions: The prosECCo75 Biomolecular Force Field;Journal of Chemical Theory and Computation;2024-08-26

5. Computational toolbox for the analysis of protein–glycan interactions;Beilstein Journal of Organic Chemistry;2024-08-22