Publications

453 Publications visible to you, out of a total of 453

A New Approach to Predict the Biological Activity of Molecules Based on Similarity of Their Interaction Fields and the logP and logD Values: Application to Auxins

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Branimir Bertoša, Biserka Kojić-Prodić, Rebecca C. Wade, Michael Ramek, Stavroula Piperaki, Anna Tsantili-Kakoulidou, Sanja Tomić

Date Published: 2003

Publication Type: Journal

DOI: 10.1021/ci034063n

Citation: J. Chem. Inf. Comput. Sci. 43(5):1532-1541

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

What Determines the Redox Potential of Ferredoxins?

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Timm Essigke, G. Matthias Ullmann, Rebecca C. Wade

Date Published: 2003

Publication Type: InProceedings

Citation: In "Proceedings of the 13th International Conference on Cytochromes P450", pp. 25–30, Monduzzi Editore, Bologna

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

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

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