The division "Computers in Chemistry" (CIC) of the German Chemical Society (Gesellschaft Deutscher Chemiker e.V.) cordially invites you to participate in the

17^th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop

GCC 2022 May 8 - 10, 2022 and
EuroSAMPL May 11 - 12, 2022 in Garmisch-Partenkirchen, Germany

Aims of the joint conference

The GCC reflects and highlights the important role of Cheminformatics, which connects the modern information and data-driven world with computational modelling of molecular systems. It spans a wide range of subjects related to the use of computers in chemistry, pharmacy, materials science and biology; from informatics and data science to atomistic modelling, and from fundamental academic research to industrial applications. The scientific programme will include plenary and contributed lectures, research telegrams (PhD students only), posters and software presentations.

The EuroSAMPL satellite workshop continues the series of events supporting discussions between participants and contributors to the SAMPL challenges (Statistical Assessment of the Modeling of Proteins and Ligands). These were established in 2008 as community-wide blind challenges aimed at advancing computational techniques in rational drug design, covering problems ranging from host-guest and protein-ligand complexes to small molecule physicochemical properties. The SAMPL challenge series has attracted widespread interest from scientists engaged in the field of computer-aided drug design around the world. EuroSAMPL will encompass lectures, contributions, and posters from participants during the recent SAMPL challenges, covering also aspects of industry-academia data exchange.

Link: https://www.samplchallenges.org/

We hope to attract both theoreticians and experimentalists to bring together communities for advancing both data generation/curation and model development.

We will also celebrate the 40^th anniversary of the division CIC, stay tuned for a special event!

The conference language is English.

Confirmed invited speakers

• Bernd Beck, Boehringer-Ingelheim/DE
• Natasja Brooijmans, Scorpion Therapeutics/US
• Lee Cronin, University of Glasgow/UK
• Andreas Göller, Bayer/DE
• Anna Kohlmann, Black Diamond Therapeutics/US
• Jens Meiler, Universität Leipzig/DE
• David Mobley, UC Irvine/US
• Sereina Riniker, ETH Zürich/CH
• Adrian Roitberg, University of Florida/US
• Tamar Schlick, New York University/US
• Jana Selent, University Pompeu Fabra/ES
• Wendy Warr, Holmes Chapel/UK

Topics

• Cheminformatics and Drug Discovery
• Big Data and Deep Learning
• Chemical Information and Databases
• Molecular Modelling, Simulation and Design
• Protein Structure and Modeling
• Property Prediction

Important deadlines and dates

• Submission of oral contributions (GCC): closed
• Submission of research telegrams (GCC): closed
• Submission of posters (GCC): Deadline extended to April 3rd, 2022
• Submission of posters (EuroSAMPL): Deadline extended to April 3rd, 2022
• Scholarships, February 27, 2022

Registration will be possible for the full 5-day conference at an attractive package prize or for GCC 2022 and EuroSAMPL separately (see homepage, section "abstracts and registration").

Please be aware that we have to limit the number of participants to 170.

The GCC 2022 starts on May 8, 2022 at 11 a.m. with the workshop sessions and ends on May 10 at 10 p.m. with the Zugspitze. The EuroSAMPL starts on May 11th at 11am and ends on May 12th at around 4pm.

Information about the Scientific Programme

Prof. Dr. Stefan M. Kast
Fakultät für Chemie und Chemische Biologie
Technische Universität Dortmund
Otto-Hahn-Str. 4a
44227 Dortmund
Germany

Phone: +49 231 755-3906
E-mail: stefan.kast@tu-dortmund.de