Publications

1579 Publications visible to you, out of a total of 1579

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

Exceptionally stable salt-bridges in cytochrome P450cam have functional roles

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Valère Lounnas, Rebecca C. Wade

Date Published: 1997

Publication Type: Journal

DOI: 10.1021/bi9622940

Citation: Biochemistry 36(18):5402-5417

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

Simulation of the Diffusional Association of Barnase and Barstar

Molecular and Cellular Modeling

Abstract

Not specified

Authors: R.R. Gabdoulline, R.C. Wade

Date Published: 1997

Publication Type: Journal

DOI: 10.1016/S0006-3495(97)78838-6

Citation: Biophysical Journal 72(5):1917-1929

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

Reliability of CoMFA Models: Effects of Data Scaling and Variable Selection Using a Set of Human Synovial Fluid Phospholipase A2 Inhibitors

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Angel R. Ortiz, Manuel Pastor, Albert Palomer, Gabriele Cruciani, Federico Gago, Rebecca C. Wade

Date Published: 1997

Publication Type: Journal

DOI: 10.1021/jm9601617

Citation: J. Med. Chem. 40(7):1136-1148

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

Free energies of hydration from thermodynamic integration: A comparison of molecular mechanics force fields and evaluation of calculations accuracy

Molecular and Cellular Modeling

Abstract

Not specified

Authors: V. Helms, R.C. Wade

Date Published: 1997

Publication Type: Journal

Citation: J. Comp. Chem. 18:449–462

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

Molecular Docking Using Surface Complementarity

Molecular and Cellular Modeling

Abstract

Not specified

Authors: V. Sobolev, R.C. Wade, G. Vriend, M. Edelman

Date Published: 1st May 1996

Publication Type: Journal

DOI: 10.1002/(SICI)1097-0134(199605)25:1<120::AID-PROT10>3.0.CO;2-M

Citation: Proteins 25:120-129

Created: 13th Dec 2019 at 11:52, Last updated: 5th Mar 2024 at 21:24

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