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Globachem renews contract with Cresset Discovery Cambridge, UK - 08 February 2022 - Cresset Discovery, provider of contract consulting for early ...
Introduction The role of water in drug discovery should never be ignored. Its importance in ligand binding is well accepted ...
Water molecules play a very important role in biochemical processes beyond acting as mere solvents. The presence and stability of ...
Robust QSAR models enable computational and medicinal chemists to accurately predict the biological activity and ADMET properties of new compounds. ...
Free Energy Perturbation (FEP) methods enjoy a strong reputation for delivering reliable and robust binding affinity predictions for small molecule ...
A roundup of this month's computational chemistry news from Cresset.
The Flare Python API enables computational chemists to automate common tasks in the GUI and access Flare science from the ...
Drug discovery is an increasingly complex process with significant time and costs needed to develop a new drug from hypothesis ...
Free Energy Perturbation (FEP) calculations arm the drug hunter with highly accurate binding affinity predictions for ligands. This accuracy can ...
Cambridge, UK – 21 July 2021 – Cresset, innovative provider of outstanding software for molecule discovery and design, is pleased ...
Cambridge, UK – 14 July 2021 – Cresset, innovative provider of outstanding software for molecule discovery and design, announces the ...
High-throughput virtual screening is a powerful computational technique for exploring new chemical space, discovering diverse chemotypes and generating new IP ...