Find out what’s involved in running a Free Energy Perturbation (FEP) project and how Cresset Discovery can support or completely ...
We explore some of the challenges of fragment-based drug discovery (FBDD) and how Cresset Discovery’s expert modelers apply their deep ...
We're focusing on some quite advanced computational chemistry methods in this month's newsletter, including FEP and customizable Python workflows.
In this article, we explore how pyflare, a dedicated python binary, can be used to execute a docking and Electrostatic ...
In this article, we present a simple methodology for reorienting proteins based on an atom-based ligand alignment, using a script ...
During this recent Cresset software webinar session, we explored how Molecular Dynamics and docking can work together in synergy as ...
Explore the upcoming features within the upcoming Flare v7 release, alongside a range of exciting news and updates in the ...
In anticipation of the upcoming version 7 release, let’s have a look together at some of the new features and ...
R-group Analysis in Flare™ enables you to examine the distribution of active compounds by substituent position and to understand the ...
After another busy month, our February monthly update newsletter includes features around Spark database updates, protein degradation therapeutics, and more!
As targeted protein degradation continues to evolve as a new therapeutic modality, specialist computational approaches can provide deep insights to ...
In celebration of International Women and Girls in Science Day 2023 We value all the exceptional talent we are lucky ...