32nd Molecular Modelling Workshop 2018     MGMS Logo



The 32nd Molecular Modelling Workshop will take place on March, 12th to 14th 2018. The workshop will be hosted by the University Erlangen-Nuremberg and co-organised by the Central Institute for Scientific Computing (ZISC).The research groups of Prof. Tim Clark at the Computer-Chemistry-Center and Prof. Heinrich Sticht (Institute for Biochemistry) will be responsible for the technical organization.


This year, Prof. Achim Zielesny (Westphalian University of Applied Sciences, Recklinghausen) is responsible for the scientific content of the meeting.



This workshop encourages young scientists - especially graduate students - to present and discuss their research topics. Young scientists at the beginning of their academic careers will be able to meet new colleagues from academia and gain feedback from industrial colleagues.


The conference fee amounts to 100 Euro (Students: 50 Euro). If you do not disagree upon registration at the conference desk, the fee includes the annual membership fee for the MGMS-DS e.V.. (Only payment in cash at the registration desk is possible.)


Contributions are welcome from all areas of molecular modeling -
from the life sciences, computational biology and chemistry, cheminformatics, to materials sciences.





Plenary lectures


Bernd Engels
Institute of Physical and Theoretical Chemistry, University of Würzburg

"Towards the Rational Design of Covalent Inhibitors"


Marc Hamm
Henkel AG & Co. KGaA, Düsseldorf

"Facets of Materials Modelling at Henkel"


Pavel Hobza
Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague

"Protein - Ligand Interactions and Drug Design"


Gerhard Wolber
 Institute of Pharmacy, Free University of Berlin

"Exploring Protein - Ligand Binding Using 3D Pharmacophore Patterns"


Oral and poster presentations

To give also the poster presenters the opportunity to have a look at the other presentations there will be two poster sessions.
Several reasons have prompted us to introduce English as the official workshop language. (Oral presentations may still be given in German. However, please prepare slides in English in this case.) Oral presentations should not exceed 25 minutes (including discussion); posters should be prepared in portrait format (max. 90x140cm).



The deadline for registration and submission of abstracts for oral and poster presentation is February 16th, 2018.

Only online registration is possible.

Please submit abstracts for oral and poster presentation (one page DIN A4 format) no later than February 16th by e-mail to mmws@mgms-ds.de. Please use this Word template or this OpenDocument template for abstract preparation and send it as PDF (print-ready) to mmws@mgms-ds.de.




As in the past years, there will be two Poster Awards of 100 Euro each and three Lecture Awards for the best talks:

  • Winner: 500 Euro plus a speaker slot option at the Young Modellers Forum in London, organized by the MGMS-UK.
  • 2nd Winner: 200 Euro
  • 3rd Winner: 100 Euro

Only undergraduate, graduate and PhD research students qualify for the poster and lecture awards.



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. 


The workshop is intended as a beginners overview of common modelling tasks. After a hands-on training in the Maestro 11 interface, the portal to all of Schrödinger's computational technology, the workshop will cover system preparation and general model building and will leave ample time for experimentation and questions. In this workshop you will learn how to use the Maestro 11 interface for visualization, basic modeling tasks, and to prepare proteins and ligands for running any down-stream computational applications. Building on this knowledge, we will use Maestro to look at a typical Glide ligand docking workflow, covering grid generation, docking, and the analysis.


The workshop takes place 11 am - 1 pm at the Computer-Chemistry-Center, Nägelsbachstr. 25, 91052 Erlangen, which is in walking distance to the main conference venue (Fahrstrasse 17). If you are interested in participating at the software session, please tick the corresponding checkmark upon filling the registration form. Please acknowledge that by checkmarking your interest you allow us to ask you by email to get in direct contact with Schrödinger to receive further information about the software session. 


We will NOT foward your email address to Schrödinger!



Conference location

All talks, coffee breaks, the poster sessions and the buffet dinner will take place at the Institute of Biochemistry, Fahrstrasse 17.




Participants must organize travelling and accommodation themselves. For a list of hotels and guest houses please follow the link (Hotels)

The rates given are only for orientation and may vary.


Wi-Fi Access

 Wi-Fi access is possible by (SSID) eduroam. Please configure your Wi-Fi in advance or ask your local administrator for detailed informations about your eduroam access.

General informations about eduroam:




For further information, and a list of abstracts already received, please visit this workshop website from time to time. Please address additional questions regarding the organization of the workshop to mmws@mgms-ds.de.
The general meeting of the German Section of MGMS (MGMS-DS e.V.) will be held during the workshop.

We are looking forward to meeting you in Erlangen!

The MMWS 2018 Team