On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio‐Molecular Systems: Overview and Perspective on Issues-Reference-Cited by-同舟云学术

On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio‐Molecular Systems: Overview and Perspective on Issues

Published:2020-12-30 Issue:3 Volume:22 Page:264-282
ISSN:1439-4235
Container-title:ChemPhysChem
language:en
Short-container-title:ChemPhysChem

Author:

Gunsteren Wilfred F.¹,Daura Xavier²³,Fuchs Patrick F. J.⁴⁵,Hansen Niels⁶,Horta Bruno A. C.⁷,Hünenberger Philippe H.¹,Mark Alan E.⁸,Pechlaner Maria¹,Riniker Sereina¹,Oostenbrink Chris⁹

Affiliation:

1. Laboratory of Physical Chemistry, Swiss Federal Institute of Technology ETH 8093 Zurich Switzerland

2. Institute of Biotechnology and Biomedicine Universitat Autonoma de Barcelona (UAB) 08193 Barcelona Spain

3. Catalan Institution for Research and Advanced Studies (ICREA) 08010 Barcelona Spain

4. Sorbonne Université Ecole Normale Supérieure, PSL Research University, CNRS, Laboratoire des Biomolécules (LBM) F-75005 Paris France

5. Université de Paris UFR Sciences du Vivant F-75013 Paris France

6. Institute of Thermodynamics and Thermal Process Engineering University of Stuttgart Pfaffenwaldring 9 70569 Stuttgart Germany

7. Instituto de Química Universidade Federal de Rio de Janeiro Rio de Janeiro 21941-909 Brazil

8. School of Chemistry and Molecular Biosciences University of Queensland St. Lucia QLD 4072 Australia

9. Institute of Molecular Modelling and Simulation University of Natural Resources and Life Sciences Vienna Austria

Publisher

Wiley

Subject

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

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.202000968

Reference141 articles.

1. Simulating the Physical World

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