Correction to an explicit consideration of desolvation is critical to binding free energy calculations of charged molecules at ionic surfaces

Toshifumi Mori; Robert J. Hamers; Joel A. Pedersen; Qiang Cui

doi:10.1021/ct500942q

Correction to an explicit consideration of desolvation is critical to binding free energy calculations of charged molecules at ionic surfaces

Toshifumi Mori, Robert J. Hamers, Joel A. Pedersen, Qiang Cui

Research output: Contribution to journal › Comment/debate › peer-review

Original language	English
Pages (from-to)	5738
Number of pages	1
Journal	Journal of Chemical Theory and Computation
Volume	10
Issue number	12
DOIs	https://doi.org/10.1021/ct500942q
Publication status	Published - Dec 9 2014
Externally published	Yes

All Science Journal Classification (ASJC) codes

Computer Science Applications
Physical and Theoretical Chemistry

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10.1021/ct500942q

Cite this

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title = "Correction to an explicit consideration of desolvation is critical to binding free energy calculations of charged molecules at ionic surfaces",

author = "Toshifumi Mori and Hamers, {Robert J.} and Pedersen, {Joel A.} and Qiang Cui",

year = "2014",

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doi = "10.1021/ct500942q",

language = "English",

volume = "10",

pages = "5738",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9618",

publisher = "American Chemical Society",

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T1 - Correction to an explicit consideration of desolvation is critical to binding free energy calculations of charged molecules at ionic surfaces

AU - Mori, Toshifumi

AU - Hamers, Robert J.

AU - Pedersen, Joel A.

AU - Cui, Qiang

PY - 2014/12/9

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DO - 10.1021/ct500942q

M3 - Comment/debate

AN - SCOPUS:84916631307

SN - 1549-9618

VL - 10

SP - 5738

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 12

ER -

Correction to an explicit consideration of desolvation is critical to binding free energy calculations of charged molecules at ionic surfaces

All Science Journal Classification (ASJC) codes

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