Publications

1699 Publications visible to you, out of a total of 1699

Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Jan Kmuníček, Michal Boháč, Santos Luengo, Federico Gago, Rebecca C. Wade, Jiří Damborský

Date Published: 2003

Publication Type: Journal

DOI: 10.1023/A:1026159215220

Citation: J. Comput. Aided Mol. Des. 17:299–311

Created: 6th Dec 2019 at 21:19, Last updated: 5th Mar 2024 at 21:24

MolSurfer: a macromolecular interface navigator

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Razif Gabdoulline, Rebecca C. Wade, Dirk Walther

Date Published: 2003

Publication Type: Journal

DOI: 10.1093/nar/gkg588

Citation: Nucleic Acids Research 31(13):3349-3351

Created: 6th Dec 2019 at 21:19, Last updated: 5th Mar 2024 at 21:24

Concerted Simulations Reveal How Peroxidase Compound III Formation Results in Cellular Oscillations

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Razif R. Gabdoulline, Ursula Kummer, Lars F. Olsen, Rebecca C. Wade

Date Published: 2003

Publication Type: Journal

DOI: 10.1016/S0006-3495(03)74574-3

Citation: Biophysical Journal 85(3):1421-1428

Created: 6th Dec 2019 at 21:19, Last updated: 5th Mar 2024 at 21:24

ProSAT: Functional annotation of protein 3D structures

Molecular and Cellular Modeling

Abstract

Not specified

Authors: R. R. Gabdoulline, R. Hoffmann, F. Leitner, R. C. Wade

Date Published: 2003

Publication Type: Journal

DOI: 10.1093/bioinformatics/btg220

Citation: Bioinformatics 19(13):1723-1725

Created: 6th Dec 2019 at 21:19, Last updated: 5th Mar 2024 at 21:24

DSMM - a Database of Simulated Molecular Motions

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Giacomo Finocchiaro, Ting Wang, Rene Hoffmann, Aitor Gonzalez, Rebecca C.

Date Published: 2003

Publication Type: Journal

DOI: 10.1093/nar/gkg113

Citation: Nucleic Acids Research 31(1):456-457

Created: 6th Dec 2019 at 21:19, Last updated: 5th Mar 2024 at 21:24

Implicit Solvent Models for Flexible Protein-protein Docking by Molecular Dynamics Simulation

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Ting Wang, Rebecca C. Wade

Date Published: 2003

Publication Type: Journal

DOI: 10.1002/prot.10248

Citation: Proteins 50(1):158-169

Created: 6th Dec 2019 at 21:19, Last updated: 5th Mar 2024 at 21:24

Proceedings of the 13\textsuperscriptth International Conference on Cytochromes P450

Molecular and Cellular Modeling

Abstract

Not specified

Authors: T.E. Essigke, M. Ullmann, R.C. Wade

Date Published: 2003

Publication Type: InProceedings

Citation: In What Determines the Redox Potential of Ferredoxins?, pp. pp25–30, Monduzzi Editore, Bologna

Created: 13th Dec 2019 at 10:20, Last updated: 5th Mar 2024 at 21:24

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