Publications

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354 Publications visible to you, out of a total of 354

Fundamentals of Enzyme-Ligand Interactions in Cytochrome P450cam

Molecular and Cellular Modeling

Abstract

Not specified

Authors: R.C. Wade, V. Lounnas, V. Helms, G. Hui Bon Hoa, C. Di Primo, E. Deprez, C. Barret, S. Kozin, C. Jung, H. Schulze, J. Contzen, C. Mouro, E. Gill, G. Simonneaux, A. Bondon, N. LeGrand, I. Schlichting

Date Published: 1996

Publication Type: InBook

Citation: p. 3, Ed. M.J. Geisow, BIODIGM, Nottingham

Created: 13th Dec 2019 at 11:52, Last updated: 5th Mar 2024 at 21:24

TRAJAN: A Tool to Analyze Trajectories from Molecular Simulations

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Graham A. Worth, Christophe Lecuyer, Rebecca C. Wade

Date Published: 1996

Publication Type: Journal

DOI: 10.1016/S0263-7855(96)00059-8

Citation: Journal of Molecular Graphics 14(3):173-182

Created: 13th Dec 2019 at 11:52, Last updated: 5th Mar 2024 at 21:24

Theoretical investigation of the dynamics of the Active Site Lid in Rhizomucor Miehei Lipase

Molecular and Cellular Modeling

Abstract

Not specified

Authors: G.H. Peters, O.H. Olsen, A. Svendsen, R.C. Wade

Date Published: 1996

Publication Type: Journal

DOI: 10.1016/S0006-3495(96)79207-X

Citation: Biophysical Journal 71(1):119-129

Created: 13th Dec 2019 at 11:52, Last updated: 5th Mar 2024 at 21:24

Effective charges for Macromolecules in Solvent

Molecular and Cellular Modeling

Abstract

Not specified

Authors: R. R. Gabdoulline, R. C. Wade

Date Published: 1996

Publication Type: Journal

DOI: 10.1021/jp953109f

Citation: J. Phys. Chem. 100(9):3868-3878

Created: 13th Dec 2019 at 11:52, Last updated: 5th Mar 2024 at 21:24

Improved binding of cytochrome P450cam substrate analogues designed to fill extra space in the substrate binding pocket

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Volkhard Helms, Eric Deprez, Edward Gill, Christel Barret, Gaston Hui Bon Hoa, Rebecca C. Wade

Date Published: 1996

Publication Type: Journal

DOI: 10.1021/bi951817l

Citation: Biochemistry 35(5):1485-1499

Created: 13th Dec 2019 at 11:52, Last updated: 5th Mar 2024 at 21:24

Brownian dynamics simulations of enzyme-substrate encounter

Molecular and Cellular Modeling

Abstract

Not specified

Author: R. C. Wade

Date Published: 1996

Publication Type: Journal

DOI: 10.1042/bst0240254

Citation: Biochemical Society Transactions 24(1):254-259

Created: 13th Dec 2019 at 11:52, Last updated: 5th Mar 2024 at 21:24

Prediction of Drug Binding Affinities by Comparative Binding Energy Analysis: Application to Human Synovial Fluid Phospholipase A2 Inhibitors

Molecular and Cellular Modeling

Abstract

Not specified

Authors: A.R. Ortiz, M.T. Pisabarro, F. Gago, R.C. Wade

Date Published: 1995

Publication Type: InCollection

Citation: In QSAR and Molecular Modelling: Concepts, Computational Tools and Biological Applications, pp. pp439–443, Eds. Sanz,F., Giraldo,J., Manaut,F, J.R. Prous Science Publishers, Barcelona

Created: 13th Dec 2019 at 11:52, Last updated: 5th Mar 2024 at 21:24

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