volume 44 issue 10 pages 3177-3211

Energy decomposition analysis approaches and their evaluation on prototypical protein–drug interaction patterns

Publication typeJournal Article
Publication date2015-03-27
scimago Q1
wos Q1
SJR11.467
CiteScore73.2
Impact factor39.0
ISSN03060012, 14604744
PubMed ID:  25811943
General Chemistry
Abstract

The partitioning of the interaction energy into chemical components such as electrostatics, polarization, and charge transfer is possible with energy decomposition analysis approaches. We review and evaluate these for biomolecular applications.

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GOST |
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GOST Copy
Phipps M. et al. Energy decomposition analysis approaches and their evaluation on prototypical protein–drug interaction patterns // Chemical Society Reviews. 2015. Vol. 44. No. 10. pp. 3177-3211.
GOST all authors (up to 50) Copy
Phipps M., Fox T. P., Tautermann C. S., Skylaris C. -. K. Energy decomposition analysis approaches and their evaluation on prototypical protein–drug interaction patterns // Chemical Society Reviews. 2015. Vol. 44. No. 10. pp. 3177-3211.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1039/C4CS00375F
UR - https://doi.org/10.1039/C4CS00375F
TI - Energy decomposition analysis approaches and their evaluation on prototypical protein–drug interaction patterns
T2 - Chemical Society Reviews
AU - Phipps, Maximillian J.S.
AU - Fox, Thomas P.
AU - Tautermann, Christofer S.
AU - Skylaris, Chris - Kriton
PY - 2015
DA - 2015/03/27
PB - Royal Society of Chemistry (RSC)
SP - 3177-3211
IS - 10
VL - 44
PMID - 25811943
SN - 0306-0012
SN - 1460-4744
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2015_Phipps,
author = {Maximillian J.S. Phipps and Thomas P. Fox and Christofer S. Tautermann and Chris - Kriton Skylaris},
title = {Energy decomposition analysis approaches and their evaluation on prototypical protein–drug interaction patterns},
journal = {Chemical Society Reviews},
year = {2015},
volume = {44},
publisher = {Royal Society of Chemistry (RSC)},
month = {mar},
url = {https://doi.org/10.1039/C4CS00375F},
number = {10},
pages = {3177--3211},
doi = {10.1039/C4CS00375F}
}
MLA
Cite this
MLA Copy
Phipps, Maximillian J.S., et al. “Energy decomposition analysis approaches and their evaluation on prototypical protein–drug interaction patterns.” Chemical Society Reviews, vol. 44, no. 10, Mar. 2015, pp. 3177-3211. https://doi.org/10.1039/C4CS00375F.