Assessment of density functionals with long-range and/or empirical dispersion corrections for conformational energy calculations of peptides

Young Kee Kang; Byung Jin Byun

doi:10.1002/jcc.21587

Assessment of density functionals with long-range and/or empirical dispersion corrections for conformational energy calculations of peptides

Journal of Computational Chemistry ◽

10.1002/jcc.21587 ◽

2010 ◽

Vol 31 (16) ◽

pp. 2915-2923 ◽

Cited By ~ 42

Author(s):

Young Kee Kang ◽

Byung Jin Byun

Keyword(s):

Long Range ◽

Conformational Energy ◽

Density Functionals ◽

Energy Calculations ◽

Conformational Energy Calculations

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Conformational energy calculations on the glycan chain of peptidoglycan

Biochemical Society Transactions ◽

10.1042/bst0140629 ◽

1986 ◽

Vol 14 (3) ◽

pp. 629-630 ◽

Cited By ~ 1

Author(s):

ALAN MARSDEN ◽

BARRY ROBSON ◽

J. STUART THOMPSON

Keyword(s):

Conformational Energy ◽

Energy Calculations ◽

Glycan Chain ◽

Conformational Energy Calculations

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A new proposal for the primary and secondary structure of the glycan moiety of pseudomurein. Conformational energy calculations on the glycan strands with talosaminuronic acid in 1C conformation and comparison with murein

European Journal of Biochemistry ◽

10.1111/j.1432-1033.1984.tb08461.x ◽

1984 ◽

Vol 144 (2) ◽

pp. 279-286 ◽

Cited By ~ 10

Author(s):

Bernd LEPS ◽

Harald LABISCHINSKI ◽

Gerhard BARNICKEL ◽

Hans BRADACZEK ◽

Peter GIESBRECHT

Keyword(s):

Secondary Structure ◽

Conformational Energy ◽

Energy Calculations ◽

Conformational Energy Calculations

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Influence of the membrane surface on glycolipid conformation and dynamics. An interpretation of NMR results using conformational energy calculations

Biophysical Journal ◽

10.1016/s0006-3495(92)81620-x ◽

1992 ◽

Vol 63 (2) ◽

pp. 428-437 ◽

Cited By ~ 8

Author(s):

B.G. Winsborrow ◽

J.R. Brisson ◽

I.C. Smith ◽

H.C. Jarrell

Keyword(s):

Membrane Surface ◽

Conformational Energy ◽

Energy Calculations ◽

Conformational Energy Calculations

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Conformational energy calculations on five-membered rings in pentacoordinate phosphorus

Journal of the American Chemical Society ◽

10.1021/ja00852a010 ◽

1975 ◽

Vol 97 (19) ◽

pp. 5379-5385 ◽

Cited By ~ 53

Author(s):

Robert R. Holmes

Keyword(s):

Conformational Energy ◽

Energy Calculations ◽

Conformational Energy Calculations ◽

Pentacoordinate Phosphorus

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Parallelism in Conformational Energy Calculations on Proteins

Lecture Notes in Chemistry - Supercomputer Simulations in Chemistry ◽

10.1007/978-3-642-51060-1_8 ◽

1986 ◽

pp. 198-213 ◽

Cited By ~ 14

Author(s):

K. D. Gibson ◽

S. Chin ◽

M. R. Pincus ◽

E. Clementi ◽

H. A. Scheraga

Keyword(s):

Conformational Energy ◽

Energy Calculations ◽

Conformational Energy Calculations

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CONFORMATION OF 6-AZAURIDINE-5'-MONOPHOSPHATE (z6URD-5'-P): A COMPARISON BETWEEN X-RAY DIFFRACTION STUDIES AND CONFORMATIONAL ENERGY CALCULATIONS

Biomolecular Structure, Conformation, Function, and Evolution ◽

10.1016/b978-1-4832-8364-7.50081-7 ◽

1981 ◽

pp. 293-304 ◽

Cited By ~ 1

Author(s):

W. SAENGER ◽

D. SUCK ◽

M. KNAPPENBERG ◽

J. DIRKX

Keyword(s):

Conformational Energy ◽

X Ray Diffraction ◽

Energy Calculations ◽

X Ray ◽

Conformational Energy Calculations

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Conformational energy calculations on the growth hormone inhibitor: Somatostatin

International Journal of Quantum Chemistry ◽

10.1002/qua.560140736 ◽

2009 ◽

Vol 14 (S5) ◽

pp. 381-391

Author(s):

F. A. Momany ◽

L. G. Drake ◽

J. R. AuBuchon

Keyword(s):

Growth Hormone ◽

Conformational Energy ◽

Energy Calculations ◽

Conformational Energy Calculations

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Origins of life: Conformational energy calculations on primitive tRNA nestling an amino acid

Journal of Theoretical Biology ◽

10.1016/s0022-5193(85)80073-4 ◽

1985 ◽

Vol 113 (1) ◽

pp. 15-28 ◽

Cited By ~ 3

Author(s):

R. Balasubramanian ◽

P. Seetharamulu

Keyword(s):

Amino Acid ◽

Origins Of Life ◽

Conformational Energy ◽

Energy Calculations ◽

Conformational Energy Calculations

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ChemInform Abstract: CONFORMATIONAL PREFERENCES OF FIVE-MEMBERED RINGS, CONFORMATIONAL ENERGY CALCULATIONS ON OXATHIOLANES

Chemischer Informationsdienst ◽

10.1002/chin.197426096 ◽

1974 ◽

Vol 5 (26) ◽

Author(s):

G. E. JUN. WILSON

Keyword(s):

Conformational Energy ◽

Energy Calculations ◽

Conformational Energy Calculations ◽

Conformational Preferences

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Conformational-energy calculations for oligosaccharides: a comparison of methods and a strategy of calculation

Carbohydrate Research ◽

10.1016/s0008-6215(00)90060-0 ◽

1986 ◽

Vol 149 (2) ◽

pp. 389-410 ◽

Cited By ~ 103

Author(s):

Igor Tvaroška ◽

Serge Pérez

Keyword(s):

Conformational Energy ◽

Comparison Of Methods ◽

Energy Calculations ◽

Conformational Energy Calculations

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