Development and Validation of Fluorinated, Aromatic Amino Acid Parameters for Use with the AMBER ff15ipq Protein Force Field-Reference-Cited by-同舟云学术

Development and Validation of Fluorinated, Aromatic Amino Acid Parameters for Use with the AMBER ff15ipq Protein Force Field

Published:2022-03-30 Issue:14 Volume:126 Page:2286-2297
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Yang Darian T.¹²³^ORCID,Gronenborn Angela M.²³^ORCID,Chong Lillian T.³^ORCID

Affiliation:

1. Molecular Biophysics and Structural Biology Graduate Program, University of Pittsburgh and Carnegie Mellon University, Pittsburgh, Pennsylvania 15260, United States

2. Department of Structural Biology, University of Pittsburgh School of Medicine, Pittsburgh, Pennsylvania 15260, United States

3. Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States

Funder

Division of Chemistry

National Institute of Allergy and Infectious Diseases

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c00255

Reference93 articles.

1. Small, but powerful and attractive: 19F in biomolecular NMR

2. Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model

3. Accelerating molecular dynamic simulation on graphics processing units

4. GPU-accelerated molecular modeling coming of age

5. Fluorine NMR of proteins

Cited by 7 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. Fluorinated Protein–Ligand Complexes: A Computational Perspective;The Journal of Physical Chemistry B;2024-06-17

2. Integrative approaches for characterizing protein dynamics: NMR, CryoEM, and computer simulations;Current Opinion in Structural Biology;2024-02

3. AMBERff at Scale: Multimillion-Atom Simulations with AMBER Force Fields in NAMD;Journal of Chemical Information and Modeling;2024-01-04

4. Nuclear spin relaxation;Nuclear Magnetic Resonance;2023-11-29

5. AMBERff at scale: Multimillion-atom simulations with AMBER force fields in NAMD;2023-10-12