How Well Does a Restrained Electrostatic Potential (RESP) Model Perform in Calculating Conformational Energies of Organic and Biological Molecules?

Junmei Wang; Piotr Cieplak; Peter A. Kollman

doi:10.1002/1096-987X(200009)21:12<1049::AID-JCC3>3.0.CO;2-F

How Well Does a Restrained Electrostatic Potential (RESP) Model Perform in Calculating Conformational Energies of Organic and Biological Molecules?

Junmei Wang, Piotr Cieplak, Peter A. Kollman

Research output: Contribution to journal › Article › peer-review

Original language	English (US)
Pages (from-to)	1049-1074
Number of pages	26
Journal	Journal of Computational Chemistry
Volume	21
Issue number	12
DOIs	https://doi.org/10.1002/1096-987X(200009)21:12<1049::AID-JCC3>3.0.CO;2-F
State	Published - Sep 2000

ASJC Scopus subject areas

General Chemistry
Computational Mathematics

Access to Document

10.1002/1096-987X(200009)21:12<1049::AID-JCC3>3.0.CO;2-F

Cite this

@article{17ca84adc0ce4286a4b162458852d75f,

title = "How Well Does a Restrained Electrostatic Potential (RESP) Model Perform in Calculating Conformational Energies of Organic and Biological Molecules?",

author = "Junmei Wang and Piotr Cieplak and Kollman, {Peter A.}",

year = "2000",

month = sep,

doi = "10.1002/1096-987X(200009)21:12<1049::AID-JCC3>3.0.CO;2-F",

language = "English (US)",

volume = "21",

pages = "1049--1074",

journal = "Journal of Computational Chemistry",

issn = "0192-8651",