Scalable Indirect Free Energy Method Applied to Divalent Cation-Metalloprotein Binding-Reference-Cited by-同舟云学术

Scalable Indirect Free Energy Method Applied to Divalent Cation-Metalloprotein Binding

Published:2019-06-20 Issue:8 Volume:15 Page:4602-4614
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Litman Jacob¹^ORCID,Thiel Andrew C.²^ORCID,Schnieders Michael J.¹²^ORCID

Affiliation:

1. University of Iowa, Department of Biochemistry, 51 Newton Road, 4-403 Bowen Science Building, Iowa City, Iowa 52242, United States

2. University of Iowa, Department of Biomedical Engineering, 103 South Capitol Street, 5601 Seamans Center for the Engineering Arts and Sciences, Iowa City, Iowa 52242, United States

Funder

Division of Chemistry

National Institute on Deafness and Other Communication Disorders

National Institute of Diabetes and Digestive and Kidney Diseases

University of Iowa

National Institutes of Health

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00147

Reference76 articles.

1. Cell Signaling by Receptor Tyrosine Kinases

2. Membrane recognition by phospholipid-binding domains

3. Principles Governing Mg, Ca, and Zn Binding and Selectivity in Proteins

4. The Structural Basis of Ribosome Activity in Peptide Bond Synthesis

5. Blind Prediction of Charged Ligand Binding Affinities in a Model Binding Site

Cited by 6 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. METALLOPROTEIN PARAMETERS IN MOLECULAR DYNAMICS SIMULATION FOR AMBER, CHARMM, GROMACS, AND NAMD: A SYSTEMATIC REVIEW;International Journal of Applied Pharmaceutics;2024-09-07

2. Force Field X: A computational microscope to study genetic variation and organic crystals using theory and experiment;The Journal of Chemical Physics;2024-07-03

3. Crystal Polymorph Search in the NPT Ensemble via a Deposition/Sublimation Alchemical Path;Crystal Growth & Design;2024-03-09

4. A Comparison of Methods for Computing Relative Anhydrous–Hydrate Stability with Molecular Simulation;Crystal Growth & Design;2022-11-29

5. Selectivity of parvalbumin B protein binding to Ca²⁺ and Mg²⁺ at an ab initio QM/MM level using the reference-potential method;Chinese Journal of Chemical Physics;2021-12