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Molecular Interaction Fields

Molecular and Cellular Modeling

Abstract

Not specified

Author: R.C. Wade

Date Published: 1993

Publication Type: InCollection

Citation: In 3D QSAR in Drug Design. Theory, Methods and Applications, pp. pp486–505, Ed. Kubinyi,H. ESCOM, Leiden

Created: 13th Dec 2019 at 11:54, Last updated: 5th Mar 2024 at 21:24

Binding of an Antiviral Agent to a Sensitive and a Resistant Human Rhinovirus. Computer Simulations Studies with Sampling of Amino Acid Side-chain Conformations. I Mapping the Rotamers of Residue 188 of Viral Protein 1

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Rebecca C. Wade, J.Andrew McCammon

Date Published: 1992

Publication Type: Journal

DOI: 10.1016/0022-2836(92)90394-Y

Citation: Journal of Molecular Biology 225(3):679-696

Created: 13th Dec 2019 at 11:56, Last updated: 5th Mar 2024 at 21:24

Binding of an Antiviral Agent to a Sensitive and a Resistant Human Rhinovirus. Computer Simulations Studies with Sampling of Amino Acid Side-chain Conformations. II. Calculations of Free-energy Differences by Thermodynamic Integration

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Rebecca C. Wade, J.Andrew McCammon

Date Published: 1992

Publication Type: Journal

DOI: 10.1016/0022-2836(92)90395-Z

Citation: Journal of Molecular Biology 225(3):697-712

Created: 13th Dec 2019 at 11:56, Last updated: 5th Mar 2024 at 21:24

Prediction of Water Binding Sites on Proteins by Neural Networks

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Rebecca C. Wade, Henrik Bohr, Peter G. Wolynes

Date Published: 1992

Publication Type: Journal

DOI: 10.1021/ja00047a046

Citation: J. Am. Chem. Soc. 114(21):8284-8285

Created: 13th Dec 2019 at 11:56, Last updated: 5th Mar 2024 at 21:24

A Molecular Dynamics Study of Thermodynamic and Structural Aspects of the Hydration of Cavities in Proteins

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Rebecca C. Wade, Michael H. Mazor, J. Andrew McCammon, Florante A. Quiocho

Date Published: 1991

Publication Type: Journal

DOI: 10.1002/bip.360310802

Citation: Biopolymers 31(8):919-931

Created: 13th Dec 2019 at 11:57, Last updated: 5th Mar 2024 at 21:24

An Approach to the Design of Anti-Influenza Agents

Molecular and Cellular Modeling

Abstract

Not specified

Author: R.C. Wade

Date Published: 1990

Publication Type: InCollection

Citation: In Use of X-Ray Crystallography in the Design of Antiviral Agents, pp. pp61–74, Eds. Laver,G. and Air,G. Academic Press, Inc., San Diego

Created: 13th Dec 2019 at 11:57, Last updated: 5th Mar 2024 at 21:24

Solvation of the Active Site of Cytochrome P450-cam

Molecular and Cellular Modeling

Abstract

Not specified

Author: Rebecca C. Wade

Date Published: 1990

Publication Type: Journal

DOI: 10.1007/BF00125318

Citation: J Computer-Aided Mol Des 4(2):199-204

Created: 13th Dec 2019 at 11:57, Last updated: 5th Mar 2024 at 21:24

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