Quantum-Chemical Electron Densities of Proteins and of Selected Protein Sites from Subsystem Density Functional Theory-Reference-Cited by-同舟云学术

Quantum-Chemical Electron Densities of Proteins and of Selected Protein Sites from Subsystem Density Functional Theory

Published:2013-04-05 Issue:5 Volume:9 Page:2425-2440
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Kiewisch Karin¹,Jacob Christoph R.²,Visscher Lucas¹

Affiliation:

1. Amsterdam Center for Multiscale Modeling, VU University Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

2. Center for Functional Nanostructures and Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Wolfgang-Gaede-Str. 1a, 76131 Karlsruhe, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct3008759

Reference74 articles.

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3. Empirical force fields for biological macromolecules: Overview and issues

4. Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applications

5. Linear scaling electronic structure methods

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