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1539 Publications visible to you, out of a total of 1539

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

Dynamically adapting the degree of parallelism with reflexive programs

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Niels Reimer, Stefan U. Hänßgen, Walter F. Tichy

Date Published: 1996

Publication Type: Journal

DOI: 10.1007/BFb0030122

Citation: Parallel Algorithms for Irregularly Structured Problems 1117:313-318,Springer Berlin Heidelberg

Created: 13th Dec 2019 at 13:10, Last updated: 5th Mar 2024 at 21:24

Rational design of Human Synovial Fluid Phospholipase A2 inhibitors and analysis of their three-dimensional structure-activity relationships

Molecular and Cellular Modeling

Abstract

Not specified

Author: Angel Ramirez Ortiz

Date Published: 1996

Publication Type: Doctoral Thesis

Citation: University of Alcala de Henares, Madrid

Created: 13th Dec 2019 at 14:28, Last updated: 5th Mar 2024 at 21:24

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