Force field development phase II: Relaxation of physics-based criteria… or inclusion of more rigorous physics into the representation of molecular energetics-Reference-Cited by-同舟云学术

Force field development phase II: Relaxation of physics-based criteria… or inclusion of more rigorous physics into the representation of molecular energetics

Published:2018-11-30 Issue:2 Volume:33 Page:205-264
ISSN:0920-654X
Container-title:Journal of Computer-Aided Molecular Design
language:en
Short-container-title:J Comput Aided Mol Des

Author:

Hagler A. T.^ORCID

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery

Link

http://link.springer.com/content/pdf/10.1007/s10822-018-0134-x.pdf

Reference300 articles.

1. Dauber P, Hagler AT (2018) On the evolution of force fields for molecular mechanics and dynamics studies of biomolecular systems and drug design: where have we been, where are we now, where do we need to go and how do we get there? J Comput Aided Mol Des. https://doi.org/10.1007/s10822-018-0111-4

2. Westheimer FH (1956) Steric effects in organic chemistry. Wiley, New Jersey

3. Allinger NL (1959) Conformational analysis. III application to some medium ring compounds. J Am Chem Soc 81:5727–5733

4. Hendrickson JB (1961) Molecular geometry I. Machine computation of the common rings. J Am Chem Soc 83:4537–4547

5. Wiberg KB (1965) A scheme for strain energy minimization. Application to the cycloalkanes. J Am Chem Soc 87:1070–1078

Cited by 51 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. The Open Force Field Initiative: Open Software and Open Science for Molecular Modeling;The Journal of Physical Chemistry B;2024-07-11

2. Exploring Biomolecular Conformational Dynamics with Polarizable Force Field AMOEBA and Enhanced Sampling Method Milestoning;Journal of Chemical Theory and Computation;2024-05-14

3. Reweighting from Molecular Mechanics Force Fields to the ANI-2x Neural Network Potential;Journal of Chemical Theory and Computation;2024-03-25

4. Enhancing Protein–Ligand Binding Affinity Predictions Using Neural Network Potentials;Journal of Chemical Information and Modeling;2024-02-20

5. Martini on the Rocks: Can a Coarse-Grained Force Field Model Crystals?;The Journal of Physical Chemistry Letters;2024-01-23