A free energy calculation can be used to predict K+-binding constants for new macrotetrolide antibiotics

Joan W. Lee; Nigel D. Priestley

doi:10.1016/S0960-894X(98)00300-X

A free energy calculation can be used to predict K⁺-binding constants for new macrotetrolide antibiotics

Joan W. Lee
, Nigel D. Priestley

Ohio State University

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

8 Scopus citations

Abstract

A free energy calculation technique was used to predict K⁺ binding constants for new macrotetrolides. The technique was validated by successfully predicting affinity constants for known, naturally produced, macrotetrolides.

Original language	English
Pages (from-to)	1725-1728
Number of pages	4
Journal	Bioorganic and Medicinal Chemistry Letters
Volume	8
Issue number	13
DOIs	https://doi.org/10.1016/S0960-894X(98)00300-X
State	Published - Jul 7 1998

Funding

Acknowlegement: This work was supported by the College of Pharmacy, The Ohio State University, and by grant number CA77347 from the National Cancer Institute. We also gratefully acknowledge the AFPE

Funders	Funder number
R01CA077347
Ohio State University

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10.1016/S0960-894X(98)00300-X

Cite this

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title = "A free energy calculation can be used to predict K+-binding constants for new macrotetrolide antibiotics",

abstract = "A free energy calculation technique was used to predict K+ binding constants for new macrotetrolides. The technique was validated by successfully predicting affinity constants for known, naturally produced, macrotetrolides.",

author = "Lee, \{Joan W.\} and Priestley, \{Nigel D.\}",

note = "Funding Information: Acknowlegement: This work was supported by the College of Pharmacy, The Ohio State University, Funding Information: and by grant number CA77347 from the National Cancer Institute. We also gratefully acknowledge the AFPE",

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AU - Lee, Joan W.

AU - Priestley, Nigel D.

N1 - Funding Information: Acknowlegement: This work was supported by the College of Pharmacy, The Ohio State University, Funding Information: and by grant number CA77347 from the National Cancer Institute. We also gratefully acknowledge the AFPE

PY - 1998/7/7

Y1 - 1998/7/7

N2 - A free energy calculation technique was used to predict K+ binding constants for new macrotetrolides. The technique was validated by successfully predicting affinity constants for known, naturally produced, macrotetrolides.

AB - A free energy calculation technique was used to predict K+ binding constants for new macrotetrolides. The technique was validated by successfully predicting affinity constants for known, naturally produced, macrotetrolides.

UR - https://www.scopus.com/pages/publications/0032493415

U2 - 10.1016/S0960-894X(98)00300-X

DO - 10.1016/S0960-894X(98)00300-X

M3 - Article

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AN - SCOPUS:0032493415

SN - 0960-894X

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JO - Bioorganic and Medicinal Chemistry Letters

JF - Bioorganic and Medicinal Chemistry Letters

IS - 13

ER -

A free energy calculation can be used to predict K⁺-binding constants for new macrotetrolide antibiotics

Abstract

Funding

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