Computational Tools for Chemical Biology (eBook)

Sonsoles Martín-Santamaría completed her PhD in Organic and Pharmaceutical Chemistry in 1998 at the University Complutense of Madrid. Following postdoctoral work at Imperial College London and at the Univercity of Alcalá, she joined the University CEU San Pablo in Madrid as a "Ramón y Cajal" Researcher. Since 2012 she has been the Principal Investigator of the “Computational Chemical Biology” group at the University CEU San Pablo and, since 2014, has been a staff scientist for CIB-CSIC, Madrid.

Computational Chemistry and Molecular Modelling Basics; Molecular Dynamics Computer Simulations of Biological Systems; Designing Chemical Tools with Computational Chemistry; Computational Design of Protein Function; Computational Enzymology: Modelling Biological Catalysts; Computational Chemistry Tools in Glycobiology: Modelling of Carbohydrate–Protein Interactions; Molecular Modelling of Nucleic Acids; Uncovering GPCR and G Protein Function by Protein Structure Network Analysis; Current Challenges in the Computational Modelling of Molecular Recognition Processes; Novel Insights into Membrane Transport from Computational Methodologies; Application of Molecular Modelling to Speed-up the Lead Discovery Process; Molecular Modelling and Simulations Applied to Challenging Drug Discovery Targets; The Polypharmacology Gap Between Chemical Biology and Drug Discovery