Multiscale electrostatic embedding simulations for modeling structure and dynamics of molecules in solution: A tutorial review-Reference-Cited by-同舟云学术

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Multiscale electrostatic embedding simulations for modeling structure and dynamics of molecules in solution: A tutorial review

Published:2020-07-16 Issue:21 Volume:120 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Dohn Asmus O.¹²^ORCID

Affiliation:

1. DTU Physics Technical University of Denmark Kongens Lyngby Denmark

2. Science Institute and Faculty of Physical Sciences University of Iceland Reykjavík Iceland

Funder

Det Frie Forskningsråd

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26343

Reference144 articles.

1. Computer Simulation of Liquids

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

3. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

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