Publications

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352 Publications visible to you, out of a total of 352

Prediction of protein hydration sites from sequence by modular neural networks

Molecular and Cellular Modeling

Abstract

Not specified

Authors: L. Ehrlich, M. Reczko, H. Bohr, R. C. Wade

Date Published: 1998

Publication Type: Journal

DOI: 10.1093/protein/11.1.11

Citation: Protein Engineering Design and Selection 11(1):11-19

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

Computational Strategies for Modeling Receptor Flexibility in Studies of Receptor-Ligand Interactions

Molecular and Cellular Modeling

Abstract

Not specified

Authors: R. C. Wade, S. Lüdemann

Date Published: 1998

Publication Type: InCollection

DOI: 10.1007/978-94-015-9028-0_4

Citation: Structure-Based Drug Design,pp.41-52,Springer Netherlands

Created: 13th Dec 2019 at 11:46, Last updated: 5th Mar 2024 at 21:24

Computational Approaches to Modeling Receptor Flexibility Upon Ligand Binding: Application to Interfacially Activated Enzymes

Molecular and Cellular Modeling

Abstract

Not specified

Authors: R. C. Wade, V. Sobolev, A. R. Ortiz, G. Peters

Date Published: 1998

Publication Type: InCollection

DOI: 10.1007/978-94-015-9028-0_19

Citation: Structure-Based Drug Design,pp.223-232,Springer Netherlands

Created: 13th Dec 2019 at 11:48, Last updated: 5th Mar 2024 at 21:24

Comparative binding energy analysis

Molecular and Cellular Modeling

Abstract

Not specified

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

Date Published: 1998

Publication Type: Journal

DOI: 10.1023/A:1027247618908

Citation: Perspectives in Drug Discovery and Design, 9:19-34

Created: 23rd Jan 2020 at 14:48, Last updated: 5th Mar 2024 at 21:24

Free energies of hydration from thermodynamic integration: Comparison of molecular mechanics force fields and evaluation of calculation accuracy

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Volkhard Helms, Rebecca C. Wade

Date Published: 1st Mar 1997

Publication Type: Journal

DOI: 10.1002/(SICI)1096-987X(199703)18:4<449::AID-JCC1>3.0.CO;2-T

Citation: J. Comput. Chem. 18(4):449-462

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

’Flu’ and Structure Based Drug Design

Molecular and Cellular Modeling

Abstract

Not specified

Author: Rebecca C Wade

Date Published: 1997

Publication Type: Journal

DOI: 10.1016/S0969-2126(97)00265-7

Citation: Structure 5(9):1139-1145

Created: 13th Dec 2019 at 11:51, Last updated: 5th Mar 2024 at 21:24

pKa Calculations for Class A Beta-lactamases: Methodological and Mechanistic Implications

Molecular and Cellular Modeling

Abstract

Not specified

Authors: X. Raquet, V. Lounnas, J. Lamotte-Brasseur, J.M. Frère, R.C. Wade

Date Published: 1997

Publication Type: Journal

DOI: 10.1016/S0006-3495(97)78270-5

Citation: Biophysical Journal 73(5):2416-2426

Created: 13th Dec 2019 at 11:51, Last updated: 5th Mar 2024 at 21:24

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