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.

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): January 09, 2022
Submission of research telegrams (GCC): January 09, 2022
Submission of posters (GCC): March 15, 2022
Submission of posters (EuroSAMPL): March 15, 2022
Scholarships, February 27, 2022
Room reservation, February 02, 2022