Helping chemistry teams design the best molecules

Cresset, innovative provider of outstanding software for molecular discovery, is pleased to announce the scientific program for its User Group Meeting on 21st – 22nd June in Cambridge, UK.

“Leading chemists from industry and academia will present scientific case studies and insights into how computational chemistry has helped transform their research,” says Dr Robert Scoffin, Cresset CEO. “In addition, Cresset scientists will present our latest scientific developments and will showcase upcoming applications to help chemistry teams design the best molecules as efficiently as possible. Whether you are new to Cresset, have been with us from the beginning, or are just intrigued to find out more about the solutions we offer, we invite you to join us.”
 
Registration is open to computational, medicinal and synthetic chemists, and those wanting to design the best molecules efficiently.
 

June 21 • Scientific program

Cresset presentations:

• Sneak Peek at Next Generation Collaborative 3D Design
• Real time 3D design in 2D!
• Customizing and Scripting in Flare 2.0: Introducing the New API
• Predicting Activity Using the Electrostatic Complementarity of Protein-ligand Complexes
• New Science and Improved Workflows in Cresset Ligand-based Applications

Invited presentations:

• Keynote lecture: Acceleration of Drug Discovery Through the Judicious Application of Enabling Chemistry Technology, AbbVie, USA
• Molecules in 5D: Experiences with Peptidic Macrocycles, Novartis, Switzerland
• Indole Regulation of Cytoplasmic pH makes E. coli More Resilient to Antibiotic Stress, University of Cambridge, UK
• Exploring the Potential of Indirect Inhibition of GTPase Driven Oncogenesis via ICMT Inhibition, Cancer Therapeutics CRC, Australia
• Identifying Pharmaceutical Molecules with a Chemotyping Approach, Sun Yat-sen University China
• Progress of Compound Library Design Using In-silico Approach for Collaborative Drug Discovery, Keio University, Japan
• Pushing the Boundaries of Computational Binding Free Energy Prediction Methods, University of Edinburgh, UK

June 22 • Hands-on software workshops

• Introduction to Flare for computational, medicinal and synthetic chemists
• Python in Flare
• Advanced Spark
• 3D-QSAR in Forge
• Forge SAR
• Library design with Cresset nodes in KNIME

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