Next Wednesday, Dr. Martin Indarte will make a presentation in our lab with the title: Computer assisted drug discovery: What can it do for your research?
He is working at the Laboratory of Biologia Computacional i Proteòmica, Institut de Biotecnologia i Biomedicina (IBB), Universitat Autònoma de Barcelona (UAB), directed by Dr. Xavier Daura.
Abstract of the presentation:
“Drug discovery and development are extremely time and resources consuming processes. Computational approaches offer an inexpensive and interesting approach that can expedite drug discovery, design, development and optimization of lead compounds. Commonly used computational approaches include ligand-based drug design (e.g. pharmacophore searches), structure-based drug design (docking), homology modeling and quantitative structure-activity and quantitative structure-property relationships (QSAR/QSPR). These approaches can also guide site directed mutagenesis, shed some light on protein behavior, peptide binding and molecular recognition phenomena. In this talk, several first hand examples of successful interactions between molecular modeling, molecular biology and pharmacology will be covered with the aim of improving positive interactions between experimentalists and molecular modelers. If you ever wondered what is all the fuzz about molecular modelers and how they could help your research, this talk is for you.”