Publications

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

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

Blue Copper Proteins: A Comparative Analysis of their Molecular Interaction Properties

Molecular and Cellular Modeling

Abstract

Not specified

Authors: F. De Rienzo, R.R. Gabdoulline, M. C. Menziani, R.C. Wade

Date Published: 2000

Publication Type: Journal

DOI: 10.1110/ps.9.8.1439

Citation: Protein Sci. 9(8):1439-1454

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

The cisProline(i-1)-Aromatic(i) Interaction: Folding of the Ala-cisPro-Tyr peptide characterized by NMR and theoretical approaches

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Frederico Nardi, Johan Kemmink, Michael Sattler, Rebecca C. Wade

Date Published: 2000

Publication Type: Journal

DOI: 10.1023/A:1008380807603

Citation: J. Biomol. NMR 17:63–77

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

Nuclear receptor-DNA binding specificity: a COMBINE and Free-Wilson QSAR analysis

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Sanja Tomic, Lennart Nilsson, Rebecca C. Wade

Date Published: 2000

Publication Type: Journal

DOI: 10.1021/jm9911175

Citation: J. Med. Chem. 43(9):1780-1792

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

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