Publications

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382 Publications visible to you, out of a total of 382

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

Molecular Dynamics Study of Short Peptide Sequences from BPTI displaying aromatic-amide interactions

Molecular and Cellular Modeling

Abstract

Not specified

Authors: G. Worth, R.C. Wade

Date Published: 1995

Publication Type: InProceedings

Citation: In AIP Conference Proceedings

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

De novo design of ligands to block substrate access to cytochrome P450cam

Molecular and Cellular Modeling

Abstract

Not specified

Authors: M. Degenhardt, R.C. Wade

Date Published: 1995

Publication Type: Journal

Citation: J. Mol. Model. 1:93

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

Electrostatics and Diffusion of Molecules in Solution: Simulations with the University of Houston Brownian Dynamics Program

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Jeffry D. Madura, James M. Briggs, Rebecca C. Wade, Malcolm E. Davis, Brock A. Luty, Andrew Ilin, Jan Antosiewicz, Michael K. Gilson, Babak Bagheri, L.Ridgway Scott, J.Andrew McCammon

Date Published: 1995

Publication Type: Journal

DOI: 10.1016/0010-4655(95)00043-F

Citation: Computer Physics Communications 91(1-3):57-95

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

Thermodynamics of Water Mediating Protein-Ligand Interactions in Cytochrome P450cam: A Molecular Dynamics Study

Molecular and Cellular Modeling

Abstract

Not specified

Authors: V. Helms, R.C. Wade

Date Published: 1995

Publication Type: Journal

DOI: 10.1016/S0006-3495(95)79955-6

Citation: Biophysical Journal 69(3):810-824

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

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Angel R. Ortiz, M. Teresa Pisabarro, Federico Gago, Rebecca C. Wade

Date Published: 1995

Publication Type: Journal

DOI: 10.1021/jm00014a020

Citation: J. Med. Chem. 38(14):2681-2691

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

De-Novo Design von Liganden zur Blockierung der Substratzugaenlichkeit von Cytochrom P450cam

Molecular and Cellular Modeling

Abstract

Not specified

Author: Michael Degenhardt

Date Published: 1995

Publication Type: Diplom Thesis

Citation: Biology, Ruperto-Carola University, Heidelberg

Created: 12th Feb 2020 at 14:58, Last updated: 5th Mar 2024 at 21:24

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