32nd Molecular Modelling Workshop 2018     MGMS Logo


Meeting Gleanings

The organizers want to thank everyone who helped to make the 32st Molecular Modelling Workshop 2018 an interesting and inspiring meeting!


The winners of the Lecture Awards are

  • 1. Sehee Na (L22)
    Thermodynamic Integration Network Study of Electron Transfer: from Proteins to Aggregates


  • 2. Dominik Budday (L20)
    Bridging Rigidity Theory and Normal Modes


  • 3. Oliver Lemke (L21)
    Kinetic models of the Cyclosporines A and E


  • 3. Nicolas Tielker (L23)
    Prediction of acidity constants and pH-dependent microstate populations for drug-like compounds


  • 3. Floriane Martins (L08)
    Classical Molecular Docking Procedures in the Context of Enzyme Engineering



The winners of the Poster Awards are

  • P05, Session I - Lauritz Bußfeld (Hannover)
    Towards the coarse-grained modelling of dimethacrylate-based biomaterials


  • P10, Session II - Nicola Porta (Düsseldorf)
    Impact of allosteric inhibitors on MRSA pyruvate kinase conformational dynamics



Workshop Announcement


The 32nd Molecular Modeling Workshop 2018 (March 12th to 14th 2018)  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


The workshop book of abstractsis available for download:
Book of abstracts (~28 MB, PDF)


Please see the "Circular" for more information!


Pre-conference workshop

For the first time at our Molecular Modeling Workshop, Schrödinger is offering a pre-conference workshop entiteled "Structure-based Drug Design using the Schrödinger Suite".


Computational Chemistry has become an integral part of modern drug design. The methods in the computational modeller's toolkit vary enormously in cost and complexity, from simple visualisation tasks to high level QM calculations and atomistic dynamics simulation. Schrödinger, as a scientific leader in developing state-of-the-art chemical simulation software for use in pharmaceutical, biotechnology, and materials science research, offers tools spanning this entire range. 


Please see the "Circular / Pre-conference Workshop" for more information!