27th Molecular Modelling Workshop 2013     MGMS Logo


Meeting Gleanings

The organizers want to thank everyone who helped to make the workshop an interesting and inspiring meeting!

Molecular Modeling Workshop in Erlangen CCC Teilnehmer Gruppenbild 2013 The workshop Picture of all participants is available for download in higher resolution:
Variante 1: JPG 3.8 MB
Variante 2: JPG 3.8 MB


Some further Impressions:


The winners of the Lecture and Poster Awards are

Lecture/Poster Award Winners 2013
(click image to enlarge)

Lecture Awards:


  • 1. Ralf Kling (Erlangen, first from right)
    Revealing the selectivity determinants of ternary GPCR-complexes by homology modeling and molecular dynamics simulations

  • 2. Julian Fuchs (Innsbruck, second from left)
    Dynamics Direct Specificity of Effector Caspases

  • 3. Timo Krotzky (Marburg, first from left)
    Efficient Comparison of Protein Binding Sites using Distance Histograms

  • 3. Michael Limb (Bristol, third from left)
    Application of QM/MM methods to probe HEWL reaction

Poster Awards:


  • P14, Session I - Leonhard Henkes (Dortmund, fourth from left)
    Predicting ion selectivitiy of biological and synthetic nanopores by MD simulations and 3D integral equation theory


  • P20, Session II - Ido Ben-Shalom (Düsseldorf, second from right)
    Protein-ligand binding entropy in lead optimization



Workshop Announcement


The 27th Molecular Modeling Workshop 2013 (February, 25th - 27th) in Erlangen provides research students and new postdoctoral scientists the perfect opportunity to present their research to the molecular modeling community. Scientists at the beginning of their academic careers are able to meet new colleagues in academia and industry.

Every year, the organisers welcome both poster or lecture contributions in English or German from all areas of molecular modeling including life sciences, physical sciences, material sciences and the nano sciences.

The aim of the Modeling Workshop is to introduce research in progress. The workshop is the perfect venue to introduce new methods in molecular modeling that can be applied to many disciplines. The workshop is suitable for everyone, those who want to gain experience in presentation skills and those who just want to network in a friendly relaxed environment.

As in the last years, the workshop will start on monday after lunch and will end on wednesday in the early afternoon to allow you a convenient travel.


Get the MMWS2013 Poster in larger resolution: PDF (~ 4.7 MB ).

The workshop book of abstracts is available for download:
Book of abstracts - Part I: General information and lecture abstracts (~20 MB, PDF)
Book of abstracts - Part II: Poster abstracts (~25 MB, PDF)



Plenary lectures

We are pleased to announce the following confirmed plenary speakers (in alphabetical order):

Prof. Jamshed Anwar Department of Chemistry, Lancaster University
"Developing simple physics-type force field models for molecular simulation"
Dr. Hans Matter R&D LGCR/Structure, Design & Informatics, Sanofi
"Interactions of Halogen Atoms to Protein Binding Sites and Contributions to Binding Affinity"
Prof. Dr. Carsten Schmuck Department of Organic Chemistry, University Duisburg-Essen
"Quantifying noncovalent interactions using artifical receptors as model systems"
Susan B. Sinnott, Ph.D. Department of Materials Science and Engineering, University of Florida
"Next Generation Classical Potentials for Modeling Many-Body Interactions in Materials"



Please see the "Circular" for more information!