Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects-Reference-Cited by-同舟云学术

Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects

Published:2019-04-19 Issue:6 Volume:15 Page:3854-3867
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Krämer Andreas¹²^ORCID,Pickard Frank C.¹^ORCID,Huang Jing¹³⁴,Venable Richard M.¹,Simmonett Andrew C.¹^ORCID,Reith Dirk²^ORCID,Kirschner Karl N.²^ORCID,Pastor Richard W.¹^ORCID,Brooks Bernard R.¹

Affiliation:

1. Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, United States

2. Institute of Technology, Resource and Energy-Efficient Engineering, Bonn-Rhein-Sieg University of Applied Sciences, Grantham-Allee 20, 53757 Sankt Augustin, Germany

3. School of Life Sciences, Westlake University, 18 Shilongshan Road, Hangzhou 310024, Zhejiang China

4. Department of Pharmaceutical Science, School of Pharmacy, University of Maryland, 20 Penn Street, Baltimore, Maryland 21201, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00016

Reference90 articles.

1. Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

2. Lipid and Peptide Diffusion in Bilayers: The Saffman–Delbrück Model and Periodic Boundary Conditions

3. Molecular Dynamics Simulations of Membrane Permeability