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Contact details

Georgios A. Spyroulias, PhD.
Department of Pharmacy
University of Patras
Panepistimioupoli-Rion,
GR-26504 Patras, GREECE
Tel:    +30.2610.969950 (office)
+30.2610.969951 (terra silico)
+30.2610.969952 (terra vitro)
Fax:    +30.2610.969950
Email:  G.A.Spyroulias@upatras.gr

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Now is: 2017-09-22 17:07
Postgraduate Courses - Medicinal Chemistry, Depts of Chemistry & Pharmacy
  • Molecular Modeling & NMR Spectroscopy
  • Lab Courses - NMR Spectroscopy

Topics Covered

  • Principles of NMR and Organology,
  • 2D NMR: Principles, nuclear relaxation,  1D/2D NMR anatomy, Types of 2D spectrums: COSY, TOCSY, NOESY, etc., Analysis of 2D homo- & hetero- nuclear NMR spectra,
  • Nuclear Overhauser Effect (NOE): Principles, Effect explanation, NOE and nuclei distance, ΝΟΕ and rotation time Tc.
  • Molecular Modeling: Basic Principles, Molecular Graphics, Conformations of Proteins-Peptides, Molecular Surfaces, Potential Energy Surfaces, Computer Simulation Methods-Molecular Mechanics, Energy Minimization and Related Methods for Exploring the Energy Surface -Examples
  • Rational Drug Design based on Receptor-Ligand interactions: Definition of Pharmacophores, Active Site of Receptors, Molecular Docking, Homology Modeling-Validation