Publications

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452 Publications visible to you, out of a total of 452

Derivation of QSARs using 3D Structural Models of Protein-ligand complexes by COMBINE Analysis

Molecular and Cellular Modeling

Abstract

Not specified

Author: R.C. Wade

Date Published: 2001

Publication Type: InCollection

Citation: In Rational Approaches to Drug Design: 13th European Symposium on Quantitative Structure-Activity Relationships, pp. pp23–28, Eds. Holtje, H-D., Sippl,W., Prous Science S.A., Barcelona

Created: 13th Dec 2019 at 10:20, Last updated: 5th Mar 2024 at 21:24

Inhibition studies of enzymes involved in drug resistance phenomena. Library-design and Structure-based approaches towards species-specific inhibitors of Thymidylate Synthase

Molecular and Cellular Modeling

Abstract

Not specified

Author: Stefania Ferrari

Date Published: 2001

Publication Type: Doctoral Thesis

Citation: University of Modena and Reggio Emilia, Modena

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

Glycolytic Pathway Reaction Animations

Molecular and Cellular Modeling

Abstract

Not specified

Author: Aitor Gonzalez

Date Published: 2001

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

pKa calculations for class C beta-lactamases: The role of tyr-150

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Josette Lamotte-Brasseur, Alain Dubus, Rebecca C. Wade

Date Published: 1st Jul 2000

Publication Type: Journal

DOI: 10.1002/(SICI)1097-0134(20000701)40:1<23::AID-PROT40>3.0.CO;2-7

Citation: Proteins 40:23–28

Created: 13th Dec 2019 at 10:20, Last updated: 5th Mar 2024 at 21:24

How do substrates enter and products exit the buried active site of cytochrome P450cam? 1. Random expulsion molecular dynamics to investigate ligand access channels and mechanisms

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Susanna K Lüdemann, Valère Lounnas, Rebecca C Wade

Date Published: 2000

Publication Type: Journal

DOI: 10.1006/jmbi.2000.4154

Citation: Journal of Molecular Biology 303(5):797-811

Created: 13th Dec 2019 at 10:20, Last updated: 5th Mar 2024 at 21:24

How do substrates enter and products exit the buried active site of cytochrome P450cam? 2. Steered molecular dynamics and adiabatic mapping of substrate pathways

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Susanna K. Lüdemann, Valère Lounnas, Rebecca C. Wade

Date Published: 2000

Publication Type: Journal

DOI: 10.1006/jmbi.2000.4155

Citation: Journal of Molecular Biology 303(5):813-830

Created: 13th Dec 2019 at 10:20, Last updated: 5th Mar 2024 at 21:24

Multicopy molecular dynamics simulations suggest how to reconcile crystallographic and product formation data for camphor enantiomers bound to cytochrome P-450cam

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Bedamati Das, Volkhard Helms, Valère Lounnas, Rebecca C Wade

Date Published: 2000

Publication Type: Journal

DOI: 10.1016/S0162-0134(00)00095-7

Citation: Journal of Inorganic Biochemistry 81(3):121-131

Created: 13th Dec 2019 at 10:20, Last updated: 5th Mar 2024 at 21:24

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