Rational design of particle mesh ewald compatible lennard-jones parameters for +2 metal cations in explicit solvent

Pengfei Li; Benjamin P. Roberts; Dhruva K. Chakravorty; Kenneth M. Merz

doi:10.1021/ct400146w

Rational design of particle mesh ewald compatible lennard-jones parameters for +2 metal cations in explicit solvent

Pengfei Li, Benjamin P. Roberts, Dhruva K. Chakravorty, Kenneth M. Merz

University of Florida

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

Original language	English
Pages (from-to)	2733-2748
Number of pages	16
Journal	Journal of Chemical Theory and Computation
Volume	9
Issue number	6
DOIs	https://doi.org/10.1021/ct400146w
State	Published - Jun 11 2013
Externally published	Yes

ASJC Scopus Subject Areas

Computer Science Applications
Physical and Theoretical Chemistry

Access to Document

10.1021/ct400146w

Cite this

@article{0fd5ce90bdfc4e64abc99e1aead4690a,

title = "Rational design of particle mesh ewald compatible lennard-jones parameters for +2 metal cations in explicit solvent",

author = "Pengfei Li and Roberts, \{Benjamin P.\} and Chakravorty, \{Dhruva K.\} and Merz, \{Kenneth M.\}",

year = "2013",

month = jun,

day = "11",

doi = "10.1021/ct400146w",

language = "English",

volume = "9",

pages = "2733--2748",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9618",

number = "6",

}

TY - JOUR

T1 - Rational design of particle mesh ewald compatible lennard-jones parameters for +2 metal cations in explicit solvent

AU - Li, Pengfei

AU - Roberts, Benjamin P.

AU - Chakravorty, Dhruva K.

AU - Merz, Kenneth M.

PY - 2013/6/11

Y1 - 2013/6/11

UR - https://www.scopus.com/pages/publications/84879107554

UR - https://www.scopus.com/inward/citedby.url?scp=84879107554&partnerID=8YFLogxK

U2 - 10.1021/ct400146w

DO - 10.1021/ct400146w

M3 - Article

AN - SCOPUS:84879107554

SN - 1549-9618

VL - 9

SP - 2733

EP - 2748

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 6

ER -

Rational design of particle mesh ewald compatible lennard-jones parameters for +2 metal cations in explicit solvent

ASJC Scopus Subject Areas

Access to Document

Other files and links

Cite this