Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields-Reference-Cited by-同舟云学术

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Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields

Published:2018 Issue:4 Volume:9 Page:956-972
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Lagardère Louis¹²³⁴¹,Jolly Luc-Henri¹⁵⁶³⁴,Lipparini Filippo⁷⁸⁹¹⁰^ORCID,Aviat Félix¹¹¹¹²⁶³,Stamm Benjamin¹³¹⁴¹⁵¹⁶¹⁷^ORCID,Jing Zhifeng F.¹⁸¹⁹²⁰^ORCID,Harger Matthew¹⁸¹⁹²⁰,Torabifard Hedieh²¹²²²³²⁰,Cisneros G. Andrés²¹²⁴²⁵²⁰^ORCID,Schnieders Michael J.²⁶¹⁹²⁷²⁰,Gresh Nohad¹¹¹¹²⁶³,Maday Yvon¹²⁸²⁹⁶³,Ren Pengyu Y.¹⁸¹⁹²⁰,Ponder Jay W.³⁰²¹³¹²⁰^ORCID,Piquemal Jean-Philip¹¹¹¹²⁶³^ORCID

Affiliation:

1. Sorbonne Université

2. Institut des Sciences du Calcul et des Données

3. Paris

4. France

5. Institut Parisien de Chimie Physique et Théorique

6. CNRS

7. Universita di Pisa

8. Dipartimento di Chimica e Chimica Industriale

9. Pisa

10. Italy

11. Laboratoire de Chimie Théorique

12. UMR 7616

13. MATHCCES

14. Department of Mathematics

15. RWTH Aachen University

16. Aachen

17. Germany

18. The University of Texas at Austin

19. Department of Biomedical Engineering

20. USA

21. Department of Chemistry

22. Wayne State University

23. Detroit

24. University of North Texas

25. Denton

26. The University of Iowa

27. Iowa City

28. Laboratoire Jacques-Louis Lions

29. UMR 7598

30. Washington University in Saint Louis

31. Saint Louis

Abstract

Tinker-HP is massively parallel software dedicated to polarizable molecular dynamics.

Funder

NIH Office of the Director

National Science Foundation

Centre National de la Recherche Scientifique

Agence Nationale de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/SC/C7SC04531J

Reference97 articles.

1. CHARMM36m: an improved force field for folded and intrinsically disordered proteins

2. ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

3. Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field

4. New Interaction Parameters for Charged Amino Acid Side Chains in the GROMOS Force Field

5. Force Fields for Protein Simulations

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