Book description
Innovative and forward-looking, this volume focuses on recent
achievements in this rapidly progressing field and looks at future
potential for development.
The first part provides a basic understanding of the factors governing
protein-ligand interaction, followed by a comparison of the four key
experimental methods (calorimetry, surface plasmon resonance, NMR and
X-ray crystallography) used in generating interaction data. The second
half of the book is devoted to in-silico methods of modeling and
predicting molecular recognition and binding. Here, as elsewhere in the
book, emphasis is placed on novel approaches and recent improvements to
established methods. The final part looks at unresolved challenges, and
the strategies to address them.
With the content relevant for all drug classes and therapeutic fields,
this is an inspiring and often-consulted guide to the complexity of
protein-ligand interaction modeling and analysis for both novices and experts.
Holger Gohlke is Professor of Pharmaceutical and Medicinal Chemistry
at the Heinrich-Heine-University, Dusseldorf, Germany. He obtained his
diploma in chemistry from the Technical University of Darmstadt and his
PhD from Philipps-University, Marburg, working with Gerhard Klebe, where
he developed the DrugScore and AFMoC approaches. He then did
postdoctoral research at The Scripps Research Institute, La Jolla, USA,
working with David Case on developing and evaluating computational
biophysical methods to predict protein-protein interactions. After
appointments as Assistant Professor at Goethe University Frankfurt and
Professor at Christian-Albrechts-University, Kiel, he moved to
Dusseldorf in 2009.
He was awarded the 'Innovationspreis in Medizinischer und
Pharmazeutischer Chemie' from the Gesellschaft Deutscher Chemiker and
the Deutsche Pharmazeutische Gesellschaft, and the Hansch Award of the
Cheminformatics and QSAR Society.
His current research focuses on the understanding, prediction, and
modulation of interactions involving biological macromolecules from a
theoretical perspective. His group applies and develops techniques
grounded in bioinformatics, computational biology, and computational biophysics.
