News
It’s that time of the month again… Your Cresset March Newsletter has arrived! 📧 Features include upcoming Flare v7 updates, outsourced FEP calculations, R-Group Analysis in Flare, and three exciting webinar sessions! cresset-group.com/about/news/mar… pic.twitter.com/kO8E09aDdW
The Flare Atom Pick method enables researchers to deep dive into the protein-ligand system and understand the various processes in ...
Computational chemistry offers a fast and innovative approach to drug discovery and is especially powerful when used in combination with ...
Molecular dynamics simulations of membrane proteins allow for the characterization and identification of protein-lipid interactions.
A recent EPSRC application in support of a more sustainable, community-driven development model of OpenMM.
CEO end of year message and radial plots in Flare and Spark
Prioritize the molecules with the optimal balance of properties by using radial plots in Flare and Spark to overcome the ...
As we near the end of another year, it falls to me to reflect on the events of 2022…
Flare V6.1 released, new Flare Python cookbook recipes, antibody engineering
Antibodies (immunoglobulins) are a key component of the mammalian immune response and are increasingly of interest as a means of ...
Includes splitting a multi-molecule SDF files, quick exploration of ligand properties, rapid calculation of HOMO-LUMO gap of ligands
Includes R-Group Analysis, Hit Expander and the Multi-Layer Perceptron machine learning method for building QSAR models
Published papers; case studies on identifying novel inhibitors and using MD for more biologically-relevant docking experiments