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Page 52

Structural Biology 2017

Day 1 September 18, 2017

Sessions:

Molecular Modelling and Drug Designing

Session Chair

Christina Scharnagl

Technical University of Munich, Germany

Session Co-Chair

Shuanghong Huo

Clark University, USA

Session Introduction

Title:

Structure based drug discovery on membrane protein targets: New developments and

advancements

Michael Hennig,

leadXpro AG, Switzerland

Title:

Structure-based drug design of the Eg5 inhibitor NVP-BQS481

Dirksen E. Bussiere,

Novartis Institutes for BioMedical Research, USA

Title:

Does the dynamics of their transmembrane domain qualify bitopic membrane proteins

as substrates for intramembrane proteolysis?

Christina Scharnagl,

Technical University of Munich, Germany

Title:

The dynamics of a protein during its insertion into a membrane

Andreas Kuhn,

University of Hohenheim, Germany

Title:

Extract the thermodynamic and kinetic information from protein simulations using

dimensionality reduction

Shuanghong Huo,

Clark University, USA

Title:

Dynamics of knotted and entangled neurotoxic polypeptides

Marek Cieplak,

Institute of Physics PAS, Poland

Title:

What docking studies tell us about the role of disordered protein fragments in

macromolecular assembly

Chantal Prévost,

CNRS, France

Sessi I tr

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