Publications

446 Publications visible to you, out of a total of 446

Brownian Dynamics Simulations of Diffusional Encounters between Triose Phosphate Isomerase and Glyceraldhyde Phosphate: Electrostatic Steering of Glyceraldehyde Phosphate

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Brock A. Luty, Rebecca C. Wade, Jeffry D. Madura, Malcolm E. Davis, James M. Briggs, J. Andrew McCammon

Date Published: 1993

Publication Type: Journal

DOI: 10.1021/j100103a040

Citation: J. Phys. Chem. 97(1):233-237

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

Gating of the Active Site of Triose Phosphate Isomerase: Brownian Dynamics Simulations of Flexible Peptide Loops in the Enzyme

Molecular and Cellular Modeling

Abstract

Not specified

Authors: R.C. Wade, M.E. Davis, B.A. Luty, J.D. Madura, J.A. McCammon

Date Published: 1993

Publication Type: Journal

DOI: 10.1016/S0006-3495(93)81335-3

Citation: Biophysical Journal 64(1):9-15

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

Further Development of Hydrogen-Bond Functions for Use in Determining Energetically Favorable Binding Sites on Molecules of Known Structure. 1. Ligand Probe Groups with the Ability To Form Two Hydrogen Bonds

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Rebecca C. Wade, Kevin J. Clark, Peter J. Goodford

Date Published: 1993

Publication Type: Journal

DOI: 10.1021/jm00053a018

Citation: J. Med. Chem. 36(1):140-147

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

Further Development of Hydrogen-Bond Functions for Use in Determining Energetically Favorable Binding Sites on Molecules of Known Structure. 2. Ligand Probe Groups with the Ability To Form More Than Two Hydrogen Bonds

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Rebecca C. Wade, Peter J. Goodford

Date Published: 1993

Publication Type: Journal

DOI: 10.1021/jm00053a019

Citation: J. Med. Chem. 36(1):148-156

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

Modeling three-dimensional structure and electrostatics of alkali-stable cyclomaltodextrin glucanotransferase

Molecular and Cellular Modeling

Abstract

Not specified

Authors: E. Demchuk, M. Vihinen, R. Wade, T. Korpela

Date Published: 1993

Publication Type: InCollection

Citation: In Stability and Stabilization of Enzymes, pp. pp291–298, Eds. van der Tweel,W.J.J.; Harder,A. and Buitelaar,R.M. Elsevier, Netherlands

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

Use of neural networks to predict hydration sites in proteins

Molecular and Cellular Modeling

Abstract

Not specified

Authors: R.C. Wade, H. Bohr, P.G. Wolynes

Date Published: 1993

Publication Type: InCollection

Citation: In Trends in QSAR and Molecular Modelling ’92, pp. pp396–397, Ed. Wermuth,C.G. ESCOM, Leiden

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

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

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