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352 Publications visible to you, out of a total of 352

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

Aromatic - (i+2) Amine Interaction in Peptides

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Graham A. Worth, Rebecca C. Wade

Date Published: 1995

Publication Type: Journal

DOI: 10.1021/j100048a025

Citation: J. Phys. Chem. 99(48):17473-17482

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

Simulation of enzyme-substrate interactions: the diffusional encounter step

Molecular and Cellular Modeling

Abstract

Not specified

Author: R.C. Wade

Date Published: 1995

Publication Type: Journal

PubMed ID: 8852332

Citation: Acta Bioch. Polon. 42:419–425

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

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