The pDynamo Program for Molecular Simulations using Hybrid Quantum Chemical and Molecular Mechanical Potentials-Reference-Cited by-同舟云学术

The pDynamo Program for Molecular Simulations using Hybrid Quantum Chemical and Molecular Mechanical Potentials

Published:2008-06-04 Issue:7 Volume:4 Page:1151-1161
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Field Martin J.¹

Affiliation:

1. Laboratoire de Dynamique Moléculaire Institut de Biologie Structurale — Jean-Pierre Ebel (CEA/CNRS/UJF — UMR 9075), 41 Rue Jules Horowitz, F - 38027 Grenoble, Cedex 01, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct800092p

Reference50 articles.

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

2. QM/MM Methods for Biological Systems

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

4. Python Programming Language. http://www.python.org (accessed April 29, 2008) .

5. The dynamo library for molecular simulations using hybrid quantum mechanical and molecular mechanical potentials

Cited by 99 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. Exploring the Reaction Mechanism of Polyethylene Terephthalate Biodegradation through QM/MM Approach;The Journal of Physical Chemistry B;2024-07-29

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

3. GENESIS 2.1: High-Performance Molecular Dynamics Software for Enhanced Sampling and Free-Energy Calculations for Atomistic, Coarse-Grained, and Quantum Mechanics/Molecular Mechanics Models;The Journal of Physical Chemistry B;2024-06-14

4. Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment;Chemical Reviews;2024-06-06

5. Mechanistics of pH-Dependent Sulfmyoglobin Formation: Spin Control and His64 Proton Relay;Journal of Chemistry;2024-02-21