The importance of atomic partial charges in the reproduction of intermolecular interactions for the triacetin - a model of glycerol backbone-Reference-Cited by-同舟云学术

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The importance of atomic partial charges in the reproduction of intermolecular interactions for the triacetin - a model of glycerol backbone

Published:2022-07 Issue: Volume:245 Page:105203
ISSN:0009-3084
Container-title:Chemistry and Physics of Lipids
language:en
Short-container-title:Chemistry and Physics of Lipids

Author:

Kania Adrian,Bratek Maciej,Majta Jan,Sarapata Krzysztof,Gałan Wojciech,Markiewicz Michał,Wójcik-Augustyn Anna

Funder

Narodowe Centrum Nauki

Publisher

Elsevier BV

Subject

Cell Biology,Organic Chemistry,Molecular Biology,Biochemistry

Reference57 articles.

1. All-atom empirical potential for molecular modeling and dynamics studies of proteins;A. D. MacKerell;J. Phys. Chem. B,1998

2. Advances in Sorbitol Research and Application;Acton,2013

3. Using open data to rapidly benchmark biomolecular simulations: phospholipid conformational dynamics;Antila;J. Chem. Inf. Model.,2021

4. Refined OPLS All-Atom Force Field for Saturated Phosphatidylcholine Bilayers at Full Hydration;Arkadiusz Maciejewski;J. Phys. Chem. B,2014

5. A Well-Behaved Electrostatic Potential Based Method Using Charge Restraints for Deriving Atomic Charges: the RESP Model;Bayly;J. Phys. Chem.,1993

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