MCM Group
Molecular and Cellular Modeling

Publications

2020

2019

2018

2017

2016

2015

2014

2013

2012

2011

2010

2009

2008

2007

2006

2005

2004

2003

2002

2001

2000

1999

1998

1997

1996

1995

1994

1993

1992

1991

1990

1989

1988

Theses

2019

  • Gaurav Kumar Ganotra (2019). Computational studies of drug-binding kinetics, Combined Faculty for the Natural Sciences and Mathematics, Ruprecht-Karls University, Heidelberg, 2019, Rebecca C. Wade(HITS Tutor) 1013

2018

  • Mehmet Ali Öztuerk (2018). A computational approach to decipher chromatosome structure determinants, Combined Faculties of the Natural Sciences and for Mathematics, Ruprecht-Karls University Heidelberg, Rebecca C. Wade (HITS Tutor) 882

2017

  • Ghulam Mustafa (2017). Modeling and Simulation of Membrane Proteins to Understand their Structure, Dynamics and Function, Combined Faculty for the Natural Sciences and Mathematics, Ruprecht-Karls University Heidelberg, 2017, Rebecca C. Wade(HITS Tutor) 878
  • Antonia Stank (2017). Computational Studies on the Relation Between Macromolecular Dynamics and Protein Binding and Function., Combined Faculty for the Natural Sciences and Mathematics, Ruprecht-Karls University Heidelberg, 2017, Rebecca C. Wade(HITS Tutor) 879

2016

  • Musa Ozboyaci (2016). Modeling and Simulation of Protein-Surface Interactions, Combined Faculty for the Natural Sciences and Mathematics, Ruprecht-Karls University Heidelberg, 2016, Peter Bastian(Tutor), Rebecca C. Wade(HITS Tutor) 876

2015

  • Michael Berinski (2015). Macromolecular Interactions: in silico prediction of the structures of complexes between proteins, Faculty of Informatics and Mathematics, Johann Wolfgang Goethe Universität, Frankfurt am Main 883
  • Xiaofeng Yu (2015). Multiscale Simulations of Cytochrome P450 Systems, Combined Faculties of the Natural Sciences and for Mathematics, Ruperto-Carola University of Heidelberg 885

2011

  • Sundar Raman Subramaniam (2011). Sequence, Structure and Stability of Collagen and its Interaction with Collagenase., University of Madras, Chennai. 854
  • Divita Garg (2011). Computational and NMR Studies of Thymidylate Synthase and its Regulation, Faculty of Chemistry, Technical University of Munich 855
  • Erika Nerini (2011). System Approach to the Identification of Folate-related Enzyme Inhibitors with Anti-infectious Action, Doctoral School of Science and Technologies for Health Products, University of Modena and Reggio Emilia 857

2010

  • Anna Feldman-Salit (2010). Computation and Modeling of Molecular Recognition: The Cysteine Synthase Complex, Combined Faculties of the Natural Sciences and for Mathematics, Ruperto-Carola University of Heidelberg 858

2009

  • Georgi V. Pachov (2009). Linker Histone-Nucleosome Interactions: A Modelling and Simulation Study, Combined Faculties of the Natural Sciences and for Mathematics, Ruperto-Carola University,Heidelberg 859

2007

  • Domantas Motiejunas (2007). Modeling of macromolecular interactions, Combined Faculties of the Natural Sciences and for Mathematics, Ruperto-Carola University, Heidelberg 861

2001

  • Stefania Ferrari (2001). Inhibition studies of enzymes involved in drug resistance phenomena. Library-design and Structure-based approaches towards species-specific inhibitors of Thymidylate Synthase, University of Modena and Reggio Emilia, Modena 869

1999

  • Frederico Nardi (1999). Molecular Dynamics and NMR Spectroscopic Studies of Local Interactions of Small Peptides in Aqueous Solution Involving Aromatic Residues, Universite Joseph Fourier, Grenoble 870
  • Francesca De Rienzo (1999). Computational studies of blue copper proteins, University of Modena and Reggio Emilia, Modena 871

1998

  • Wolfgang Bitomsky (1998). Binding of Glycosaminoglycans to Heparin-Binding Proteins, University of Vienna 873

1996

  • Angel Ramirez Ortiz (1996). Rational design of Human Synovial Fluid Phospholipase A2 inhibitors and analysis of their three-dimensional structure-activity relationships, University of Alcala de Henares, Madrid 874
  • Volkhard Helms (1996). Hydratation des aktiven Zentrums von Cytochrom P450cam – Untersuchung mit Molekueldynamik-Simulationen, Ludwig-Maximilians University, Munich 875

1988

  • R.C Wade (1988). Ligand-Macromolecule Interactions, University of Oxford 850

Patents

2013

  • M. Paola Costi, Rosaria Luciani, Erika Nerini, Guerrieri D., Stefania Ferrari, Alberto Venturelli, Sandra Lazzari, Rebecca C. Wade, Stefan Henrich, D. Motiejunas (2013). Uso di inhibitori della Pteridina Reduttasi per la prevenzione e/o il trattamento di infezioni parassitarie, Italian Patent Nr. 1403584, Date of Patent: 31.10.2013, Filed : 25.11.2010 1034

2009

  • M. Paola Costi, Gaetano Marverti, Daniela Cardinale, Alberto Venturelli, Stefania Ferrari, Glauco Ponterini, Stefan Henrich, Outi Salo-Ahen, Rebecca C. Wade (2009). Peptides binding to the dimer interface of thymidylate synthase for the treatment of cancer, United States Patent No.: US 8,916,679 B2, Date of Patent: 23.12.2014. Filed: 17.08.2012, 01.12.2009 1033

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