Publications

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

Docking of Glycosaminoglycans to Heparin-binding Proteins: Validation for aFGF, bFGF and Antithrombin and Application to IL-8

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Wolfgang Bitomsky, Rebecca C. Wade

Date Published: 1999

Publication Type: Journal

DOI: 10.1021/ja983319g

Citation: J. Am. Chem. Soc. 121(13):3004-3013

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

Towards molecular dynamics simulations of large proteins with a hydration shell at constant presssure

Molecular and Cellular Modeling

Abstract

Not specified

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

Date Published: 1999

Publication Type: Journal

DOI: 10.1016/S0301-4622(98)00237-3

Citation: Biophysical Chemistry 78(1-2):157-182

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

pKa calculations for class A beta-lactamases: influence of substrate binding

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Josette Lamotte-Brasseur, Valère Lounnas, Xavier Raquet, Rebecca C. Wade

Date Published: 1999

Publication Type: Journal

DOI: 10.1110/ps.8.2.404

Citation: Protein Science 8(2):404-409

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

Ways and Means to Enhance the Configurational Sampling of Small Peptides in Aqueous Solution in Molecular Dynamics Simulations

Molecular and Cellular Modeling

Abstract

Not specified

Authors: F. Nardi, R.C. Wade

Date Published: 1999

Publication Type: InCollection

Citation: In Theoretical and Computational Chemistry Book Series, vol. 7, pp. Ch. 21, 859–898, Eds. Balbuena,P.B. and Seminario,J.M., Elsevier Science: Amsterdam, Netherlands

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

L-Alanyl-L-alanine in the zwitterionic state: structures determined in the presence of explicit water molecules and with continuum models using density functional theory

Molecular and Cellular Modeling

Abstract

Not specified

Authors: M Knapp-Mohammady, K.J Jalkanen, F Nardi, R.C Wade, S Suhai

Date Published: 1999

Publication Type: Journal

DOI: 10.1016/S0301-0104(98)00387-5

Citation: Chemical Physics 240(1-2):63-77

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

Hydration energy landscape of the active site cavity in cytochrome P450cam

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Volkhard Helms, Rebecca C. Wade

Date Published: 15th Aug 1998

Publication Type: Journal

DOI: 10.1002/(SICI)1097-0134(19980815)32:3<381::AID-PROT12>3.0.CO;2-5

Citation: Proteins 32(3):381-396

Created: 23rd Jan 2020 at 14:19, Last updated: 5th Mar 2024 at 21:24

Species dependence of enzyme-substrate encounter rates for triose phosphate isomerases

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Rebecca C. Wade, Razif R. Gabdoulline, Brock A. Luty

Date Published: 1st Jun 1998

Publication Type: Journal

DOI: 10.1002/(SICI)1097-0134(19980601)31:4<406::AID-PROT7>3.0.CO;2-F

Citation: Proteins 31(4):406-416

Created: 23rd Jan 2020 at 14:20, Last updated: 5th Mar 2024 at 21:24

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