35th Molecular Modelling Workshop 2023 MGMS-DS e.V. Logo
35th Molecular Modelling Workshop 2023

Meeting Gleanings


The organizers want to thank everyone who helped to make the 35th Molecular Modelling Workshop 2023 an interesting and inspiring meeting!


The workshop book of abstracts is available for download:
Book of abstracts (~40 MB, PDF)



The workshop Photo of all participants is available for download in higher resolution: Download: JPG ~4.5 MB


PD Dr. Harald Lanig (left) is awarded a symbolic thank-you for having been the chairman of the MGMS-DS e.V. for "uncountable" years and organized the MMWS for almost 20 years as technical coordinator; congratulations were expressed by Prof. Dr. Petra Imhof (newly elected chairperson of the MGMS-DS e.V.) and Prof. Dr. Tim Clark (vice chairperson).


The winners of the Lecture Awards are:



The winners of the Poster Awards are:




Workshop Announcement


The 35th Molecular Modeling Workshop 2023 (March 13th to 15th) in Erlangen provides researchers, postdoctoral scientists, and graduate students with the perfect opportunity to present their results to the molecular modeling community. Scientists at the beginning of their academic career are able to meet new colleagues in academia and industry, discuss their research topics and gain valuable feedback.

The aim of the Modeling Workshop is to also present research in progress. It 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 organisers welcome both poster or lecture contributions in English from all areas of molecular modeling including life sciences, physical sciences, material sciences and the nano sciences, including computational biology and chemistry, and cheminformatics.

This year, Prof. Dr. Tim Clark (FAU) is responsible for the scientific content of the meeting.

The conference fee amounts to 100 Euro, for (PhD) students to 50 Euro. If you participate in person, only payment in cash at the registration desk is possible.

Additionally, we offer online participation by transmitting all talks via ZOOM. Questions to the presenters will only be possible by the ZOOM chat function (no direct audio feedback). For this option, the conference fee reduces to 50%. Upon registration, you can select how to participate. If you decide to attend online, payment in advance via bank transfer is necessary. After receiving the money, we will send you a ZOOM link.

If you do not disagree upon registration at the conference desk or for online participation, the fee includes the annual membership fee for the MGMS-DS e.V..

This webpage will be updated soon. In case you have any questions or inquiries, please do not hesitate to contact the organizers: mmws@mgms-ds.de

The workshop book of abstracts is available for download in pdf-format (~40 MB).

The conference website of the 34th MMWS (2020) is available here.



Plenary lectures

Prof. Dr. Markus Reiher
ETH Zürich
Prospects of Quantum Computing for Chemistry
Prof. Dr. Paolo Carloni
FZ Jülich, IAS
MiMiC: A new, highly scalable QM/MM interface for biophysical applications
Prof. Dr. Peter Hildebrand
Universität Leipzig
Structural mechanism of Gs protein activation by the prototypical beta-2 adrenergic receptor
Prof. Dr. Oliver Koch
Universität Münster
Neural Fingerprints: Structure- and activity-sensitive molecular representations based on neural networks for virtual screening approaches


Oral and poster presentations

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).

Oral and poster presentations are only possible by attending the meeting in person. Registered online participants can follow the talks via a ZOOM stream, which will be provided a few days before the event. To give online participants also the chance to have a look at the posters, we encourage all poster presenters to provide a PDF version of their complete poster. We will make the posters, additionally to the abstracts, available via the conference web pages.


The deadline for registration and submission of abstracts for oral and poster presentation is February 26th, 2023.

Only online registration is possible.

Please submit abstracts for oral and poster presentation (one page DIN A4 format) no later than February 26th 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.

Please be aware that your accepted abstract document will be included as-is into the book of abstracts to be provided on this website.

NOTE: Last-minute on-site registration in person is possible. Additionally, a very limited number of last-minute posters may be accepted for presentation at the registration.



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

Only undergraduate, graduate and PhD research students, who agreed to our data publishing policy, qualify for the poster and lecture awards.


Conference location

All talks, coffee breaks, the poster session and the buffet dinner will take place at the
Chemikum, Nikolaus-Fiebiger-Str. 10, 91058 Erlangen!



Participants must organize travelling and accommodation themselves. For a list of hotels and guest houses please follow the link (Hotels, last updated February 2023!)

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:


General meeting of the MGMS-DS e.V.

The general meeting of the German Section of MGMS (MGMS-DS e.V.) will be held during the workshop. Note that you may easily join the MGMS-DS for one year and thus be allowed to attend the general meeting when you pay the registration fee at our conference site.


NHR@FAU Colloquium and Results Workshop

Directly following our meeting, there will be an event organized by the Erlangen National High Performance Computing Center (NHR@FAU).

On March 15 and 16, 2023, NHR@FAU hosts a "Colloquium in celebration of two years of national HPC service" and its first "Results Symposium."

It will take place in person at the same venue. Please have a look at the corresponding web pages to decide whether this meeting is also interesting for you to attend!

Both events can be attended free of charge; a personal registration for each event is required, however, for organizational reasons.



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.

We are looking forward to meeting you in Erlangen!

The MMWS 2023 Team