33rd Molecular Modelling Workshop 2019     MGMS Logo
 





poster download (PNG, ~11 MB)
 

Symposium in honor of Tim Clark's 70th birthday

 

We will celebrate Tim Clark's 70th birthday with a symposium with keynote speakers who are active in areas of interest to Tim. The symposium will take place on April 11th, 2019 in the Chemikum (Nikolaus-Fiebiger-Str. 10, 91058 Erlangen).

 

The book of abstracts for the "Symposium in honor of Tim Clark" is available for download:
TC-Day: Book of abstracts (~6 MB, PDF)

 

There will be no additional fee for the Symposium, which will take place as an extra day of the Molecular Modeling Workshop. However, you do need to register for the Symposium when you register for MMWS (by selecting the checkbox that you also wish to attend the Symposium).

 

So far, the following of Tim's friends have agreed to give a Keynote Lecture (in alphabetical order):

 

 

Jonathan Essex
U Southampton UK

The role of water in mediating biomolecular binding: from water locations to their impact on binding affinity

 
 

Francesco Gervasio
UC London, UK

Modelling ligand binding and allostery in kinases and GPCRs with enhanced-sampling algorithms

 
 

Holger Gohlke
U Düsseldorf, Germany

What to gain from protein statics

 
 

Peter Hildebrandt
Universität Leipzig, Germany

Role of structural dynamics for GPCR signaling

 
 

Stefan Kast
TU Dortmund, Germany

From macroscopic to local molecular thermodynamics


 

Program

 

 

Program: Thursday, April 11th 2019
 
08:50-09:00 Welcome   
09:00-09:45 K1: Francesco Gervasio
Modelling ligand binding and allostery in kinases and GPCRs with enhanced-sampling algorithms
Abstract
09:45-10:05 L01: Christof Jäger
Reaction control in radical SAM enzymes: How nature plays with radical and redox reactivity
Abstract
10:05-10:50 K2: Stefan Kast
From macroscopic to local molecular thermodynamics
Abstract
10:50-11:20 Coffee break  
11:20-11:40 L02: Hakan Kayi
Design of the tellurium-containing semiconducting polymers
Abstract
11:40-12:25 K3: Peter Hildebrand
Role of structural dynamics for GPCR signaling
Abstract
12:25-13:30 Lunch  
13:30-14:15 K4: Holger Gohlke
What to gain from protein statics
Abstract
14:15-14:35 L03: Johannes Margraf
Correlation Energy Densities from Coupled Cluster Theory
Abstract
14:35-14:55 L04: Pavlo Dral
The ODMx Methods: New Consistent Semiempirical Methods
Abstract
14:55-15:30 Coffee break  
15:30-16:15 K5: Jon Essex
The role of water in mediating biomolecular binding: from water locations to their impact on binding affinity
Abstract
16:15-17:00 SURPISE, SURPRISE! Abstract
17:00 Closing remarks