Using molecular dynamics to produce an ensemble of protein conformations for more biologically-relevant docking experiments
Ensemble Docking with Molecular Dynamics Proteins in Flare™
Ensemble Docking with Molecular Dynamics Proteins in Flare™
"In the next 5–10 years future innovation will be a clever blend of FEP and artificial intelligence"
Introducing Hit Expander and a sneak peek at Flare V6.1; molecular modeling to deliver corporate objectives
A quick, easy and accurate method to explore SAR with confidence
Includes easier movie production to share results more easily, and identification of gaps in chemical exploration strategy
Introduction to upcoming new features, including ability to perform rapid exploration around a single hit or lead compound using Hit ...
Growth capital raised from SEP to accelerate product development and international expansion
We offer our condolences to His Majesty the King and the Royal Family at the passing of Her Majesty Queen ...
Including custom force fields, molecular dynamics, molecular scaffolds, clustering algorithms in Spark, small molecule design
Accurate force fields are essential to reliably predict the thermodynamic properties of small molecules. However, general transferable force fields like ...
When you choose Cresset Discovery as your CRO you access a team of skilled computational and medicinal chemists. This is ...
Clustering newly generated scaffolds in Spark allows you to group compounds based on chemotype