Prof. Dr. rer. nat. Rebecca Wade

Group Leader
Molecular and Cellular Modeling Group
Heidelberg Institute for Theoretical Studies

Professor “Computational Structural Biology”
Center for Molecular Biology (ZMBH)
Heidelberg University

 

SCIENTIFIC VITA

1982 – 1985 B.A. Hons. Physics
University of Oxford, UK
1985 – 1988 D.Phil. Molecular Biophysics
University of Oxford, UK
1988 – 1991 Postdoc
Department of Chemistry
University of Houston, USA
1992 – 2001 Group Leader
Structural and Computational Biology Programme
European Molecular Biology Laboratory (EMBL), Heidelberg
2001 – 2003 Adjunct Professor, International University in Germany, Bruchsal
Since 2001 Group Leader
Molecular and Cellular Modeling Group
Heidelberg Institute for Theoretical Studies (HITS)
Since 2012 W3-Professor “Computational Structural Biology”
Center for Molecular Biology (ZMBH)
Heidelberg University
2015 – 2016 Scientific Director
Heidelberg Institute for Theoretical Studies (HITS)

 

AWARDS

2004 Hansch Award of the International QSAR and Modeling Society
2016 International Society of Quantum Biology and Pharmacology (ISQBP)    Award in Computational Biology

 

SCIENTIFIC COORDINATION

1994 – 1996 Coordinator, EU Biotechnology Programme Project, “Cytochrome P450- ligand interactions“
Since 2013 Scientific Advisory Council
Leibniz-Institute for Molecular Pharmacology (FMP), Berlin-Buch
Since 2015 Scientific Advisory Board
Max Planck Institute of Biophysics, Frankfurt

 

PATENTS

2013 “Uso di inhibitori della Pteridina Reduttasi per la prevenzione e/o il trattamento di infezioni parassitarie”, Italian Patent Nr. 1403584, Costi MP, Luciani R, Nerini E, Guerrieri D, Ferrari S, Venturelli A, Lazzari S, (Univ. Modena); Wade R, Henrich S, Motiejunas D. (HITS)

2014 “Peptides binding to the dimer interface of thymidylate synthase for the treatment of cancer” United States Patent No.: US 8,916,679 B2. Costi MP, Marverti G, Cardinale D, Venturelli A, Ferrari S, Ponterini G (Univ. Modena), Henrich S, Salo-Ahen O, Wade R. (HITS)

 

RELEVANT PUBLICATIONS

Amaral M. Kokh DB, Bomke, J, Wegener A, Buchstaller HP, Eggenweiler HM, Matias P, Sirrenberg C, Wade RC, Frech M. Protein conformational flexibility modulates kinetics and thermodynamics of drug binding Nature Commun. 8 (2017): 2276

Salo-Ahen, OMH, Tochowicz A, Pozzi C, Cardinale D, Ferrari S, Boum Y, Mangani S, Stroud RM, Saxena P, Myllykallio H, Costi MP, Ponterini G, Wade RC. Hotspots in an Obligate Homodimeric Anticancer Target. Structural and Functional Effects of Interfacial Mutations in Human Thymidylate Synthase   J. Med. Chem., 58 (2015), 3572–3581

Stank A., Kokh DB, Horn M, Sizikova E, Neil R, Panecka J, Richter S, Wade, R.C. TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pockets..Nucleic Acids Res (2017) gkx277

Martinez, M., Bruce, N.J., Romanowska, J., Kokh, D.B., Ozboyaci, M., Yu, X., Öztürk, M.A., Richter, S. and Wade, R.C. SDA 7: A modular and parallel implementation of the simulation of diffusional association software. J. Comput. Chem., (2015) 36:1631-1645.

Cardinale, D., Guaitoli, G., Tondi, D., Luciani, R., Henrich, S., Salo-Ahen, O. M. H., Ferrari, S., Marverti, G., Guerrieri, D., Ligabue, A., Frassineti, C., Pozzi, C., Mangani, S.,  Fessas, D.,  Guerrini, R., Ponterini, G., Wade, R.C. and Costi, M.P. Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase  Proc. Natl. Acad. Sci. USA (2011) 108, 13889-13890, E542-E549.