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

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

CASP2 molecular docking predictions with the LIGIN software

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Vladimir Sobolev, Theodore M. Moallem, Rebecca C. Wade, Gert Vriend, Marvin Edelman

Date Published: 1997

Publication Type: Journal

DOI: 10.1002/(SICI)1097-0134(1997)1+<210::AID-PROT28>3.0.CO;2-Q

Citation: Proteins Suppl 1:210–214

Created: 13th Dec 2019 at 11:51

Substrate Access to Cytochrome P450cam: a Comparison of a Thermal Motion Pathway Analysis with Molecular Dynamics Simulation Data

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Susanna K. Lüdemann, Oliviero Carugo, Rebecca C. Wade

Date Published: 1997

Publication Type: Journal

DOI: 10.1007/s008940050053

Citation: Journal of Molecular Modeling 3(8):369-374

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

Local interactions of aromatic residues in short peptides in aqueous solution: a combined database and energetic analysis

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Frederico Nardi, Graham A Worth, Rebecca C Wade

Date Published: 1997

Publication Type: Journal

DOI: 10.1016/S1359-0278(97)00066-7

Citation: Folding and Design 2:S62-S68

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

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