Development and application of quantum mechanics/molecular mechanics methods with advanced polarizable potentials-Reference-Cited by-同舟云学术

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Development and application of quantum mechanics/molecular mechanics methods with advanced polarizable potentials

Published:2021-01-12 Issue:4 Volume:11 Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Nochebuena Jorge¹,Naseem‐Khan Sehr¹,Cisneros G. Andrés¹^ORCID

Affiliation:

1. Department of Chemistry University of North Texas Denton Texas USA

Funder

National Institute of General Medical Sciences

National Science Foundation

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1515

Reference144 articles.

1. 50 million atoms scale molecular dynamics modelling on a single consumer graphics card

2. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

3. QM/MM: what have we learned, where are we, and where do we go from here?

4. QM/MM Methods for Biomolecular Systems

5. Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology

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2. PyDFT-QMMM: A modular, extensible software framework for DFT-based QM/MM molecular dynamics;The Journal of Chemical Physics;2024-07-15

3. Review on Some Important Research Progresses in Biodegradable Plastics/Polymers;Recent Progress in Materials;2024-06-27

4. Impact of an Ionic Liquid Solution on Horseradish Peroxidase Activity;Journal of the American Chemical Society;2024-05-03

5. Seamless integration of GEM, a density based-force field, for QM/MM simulations via LICHEM, Psi4, and Tinker-HP;The Journal of Chemical Physics;2024-05-01

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