MCM Gruppe
Molecular and Cellular Modeling

Publikationen

2020

2019

2018

2017

2016

2015

2014

2013

2012

2011

2010

2009

2008

2007

2006

  • M. Stein, R.R. Gabdoulline, B. Beßon, R.C. Wade (2006). Beilstein Proceedings of the 2nd Conference on ’Experimental Standard Conditions of Enzyme Characterizations (ESCEC)’ em Ruedesheim (2007) em, In The Estimation of Kinetic Parameters in Systems Biology by Comparing Molecular Interaction Fields of Enzymes, pp. 237–253, 19-23 March 746
  • Matthias Stein, Razif R. Gabdoulline, Rebecca C. Wade (2006). Integrating Structural and Kinetic Enzymatic Information in Systems Biology, In NIC Workshop 2006 ’From Computational Biophysics to Systems Biology’, 6–9 June, John von Neumann Institute for Computing, Juelich, vol. 34 of NIC Series, pp. 129–132 689
  • Schleinkofer K., Wang T., Wade R.C. (2006). Molecular Docking, In Encyclopedic Reference of Genomics and Proteomics in Molecular Medicine, pp. pp1149–1153, Ed. Ganten,D. and Ruckpaul, K., Springer 690
  • R. R. Gabdoulline, S. Ulbrich, S. Richter, R. C. Wade (2006). ProSAT2-Protein Structure Annotation Server, Nucleic Acids Research 34(Web Server):W79-W83 691
  • Henrik R. Hallingbäck, Razif R. Gabdoulline, Rebecca C. Wade (2006). Comparison of the binding and reactivity of plant and mammalian peroxidases to indole derivatives by computational docking, Biochemistry 45(9):2940-2950 692
  • Alexander Spaar, Christian Dammer, Razif R. Gabdoulline, Rebecca C. Wade, Volkhard Helms (2006). Diffusional encounter of barnase and barstar, Biophysical Journal 90(6):1913-1924 693
  • Ting Wang, Rebecca C. Wade (2006). Force Field Effects on a beta-sheet Protein Domain Structure in Thermal Unfolding Simulations, J. Chem. Theory Comput. 2(1):140-148 694
  • K. J. Jalkanen, V. Würtz Jürgensen, A. Claussen, A. Rahim, G. M. Jensen, R. C. Wade, F. Nardi, C. Jung, I. M. Degtyarenko, R. M. Nieminen, F. Herrmann, M. Knapp-Mohammady, T. A. Niehaus, K. Frimand, S. Suhai (2006). Use of Vibrational Spectroscopy to Study Protein and DNA Structure, Hydration, and Binding of Biomolecules: A Combined Theoretical and Experimental Approach, Int. J. Quantum Chem. 106(5):1160-1198 695
  • G. Cruciani, E. Carosati, R.C. Wade, M. Baroni (2006). Characterization of Protein- Binding Sites and Ligands Using Molecular Interaction Fields, In Comprehensive Medicinal Chemistry II, vol. 4, pp. 237–253, Ed. Triggle, D.J. and Taylor, J.B., Elsevier: Oxford 747
  • D. Motiejunas, R.C. Wade (2006). Structural, Energetic and Dynamic Aspects of Ligand-Receptor Interactions, In Comprehensive Medicinal Chemistry II, vol. 4, pp. pp.193–213, Ed. Triggle, D.J. and Taylor, J.B., Elsevier: Oxford 748
  • M. Stein, R.R. Gabdoulline, R.C. Wade (2006). From Computational Biophysics to Systems Biology 2006, In Integrating Structural and Kinetic Enzymatic Information in Systems Biology, vol. 34 of NIC Series, pp. 129–132, Hansmann, Ulrich H.E.; Meinke, Jan; Mohanty, Sandipan; Zimmermann, Olav (Eds.) 749
  • T. Wang, R.C. Wade (2006). Force Field Effects on a b-sheet Protein Domain Structure in Thermal Unfolding Simulations, J Chem Theory and Comput 2:140–148 750

2005

2004

2003

2002

2001

2000

1999

1998

1997

1996

1995

1994

1993

1992

1991

1990

1989

1988

Abschlussarbeiten

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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