Publications

1702 Publications visible to you, out of a total of 1702

Rational Drug Design: GRID- and LUDI-based Structural Modifications of a Human Synovial Fluid Phospholipase A2 Inhibitor Leading to Enhanced Activity.

Molecular and Cellular Modeling

Abstract

Not specified

Authors: M.T. Pisabarro, A. Palomer, A.R. Ortiz, R.C. Wade, F. Gago, D. Mauleón, G. Carganico

Date Published: 1994

Publication Type: Journal

DOI: 10.1016/0263-7855(94)80054-5

Citation: Journal of Molecular Graphics 12(1):72

Created: 13th Dec 2019 at 11:53, Last updated: 5th Mar 2024 at 21:24

Simulation of Enzyme-Substrate Encounter with Gated Active Sites

Molecular and Cellular Modeling

Abstract

Not specified

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

Date Published: 1994

Publication Type: Journal

DOI: 10.1038/nsb0194-65

Citation: Nat Struct Mol Biol 1(1):65-69

Created: 13th Dec 2019 at 11:53, Last updated: 5th Mar 2024 at 21:24

Rational Modification of Human Synovial Fluid Phospholipase A2 Inhibitors

Molecular and Cellular Modeling

Abstract

Not specified

Authors: M. Teresa Pisabarro, Angel R. Ortiz, Albert Palomer, Francesc Cabre, Luisa Garcia, Rebecca C. Wade, Federico Gago, David Mauleon, Germano Carganico

Date Published: 1994

Publication Type: Journal

DOI: 10.1021/jm00029a004

Citation: J. Med. Chem. 37(3):337-341

Created: 13th Dec 2019 at 11:53, Last updated: 5th Mar 2024 at 21:24

Receptor binding properties of four-helix-bundle growth factors deduced from electrostatic analysis

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Eugene Demchuk, Thomas Mueller, Hartmut Oschkinat, Walter Sebald, Rebecca C. Wade

Date Published: 1994

Publication Type: Journal

DOI: 10.1002/pro.5560030607

Citation: Protein Science 3(6):920-935

Created: 13th Dec 2019 at 11:53, Last updated: 5th Mar 2024 at 21:24

Homology Modeling of the Abl-SH3 domain

Molecular and Cellular Modeling

Abstract

Not specified

Authors: M. T. Pisabarro, A. R. Ortiz, L. Serrano, R. C. Wade

Date Published: 1994

Publication Type: Journal

DOI: 10.1002/prot.340200302

Citation: Proteins 20(3):203-215

Created: 13th Dec 2019 at 11:53, Last updated: 5th Mar 2024 at 21:24

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

Publications

Filters ×

Filters