An averaged polarizable potential for multiscale modeling in phospholipid membranes-Reference-Cited by-同舟云学术

An averaged polarizable potential for multiscale modeling in phospholipid membranes

Published:2017-02-03 Issue:9 Volume:38 Page:601-611
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Witzke Sarah¹,List Nanna Holmgaard²,Olsen Jógvan Magnus Haugaard¹,Steinmann Casper³,Petersen Michael¹,Beerepoot Maarten T. P.⁴,Kongsted Jacob¹^ORCID

Affiliation:

1. Department of Physics, Chemistry and Pharmacy; University of Southern Denmark; Odense M DK-5230 Denmark

2. Division of Theoretical Chemistry and Biology, School of Biotechnology; KTH Royal Institute of Technology; Stockholm SE-106 91 Sweden

3. Centre for Computational Chemistry, School of Chemistry, University of Bristol; Bristol BS8 1TS United Kingdom

4. Centre for Theoretical and Computational Chemistry, Department of Chemistry; University of Tromsø-The Arctic University of Norway; Tromsø N-9037 Norway

Funder

Lundbeckfonden

Danish e-Infrastructure Cooperation (DeIC)

Villum Fonden

Carlsberg Foundation for a postdoctoral fellowship

Danish Council for Independent Research

Research Council of Norway through a Centre of Excellence

European Research Council through a Starting Grant

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference97 articles.

1. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

2. QM/MM Methods for Biomolecular Systems

3. QM/MM: what have we learned, where are we, and where do we go from here?

4. A Priori Evaluation of Aqueous Polarization Effects through Monte Carlo QM-MM Simulations

5. A Polarizable Intermolecular Potential Function for Simulation of Liquid Alcohols

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