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

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10.1021/ct400146w

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AU - Li, Pengfei

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AU - Merz, Kenneth M.

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

ASJC Scopus Subject Areas

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