Performing chemical modifications using the Library Enumerator in Flare™
In this article, we demonstrate how the tautomeric or protonation state of specific ligands can be altered, using the 'Library ...
In this article, we demonstrate how the tautomeric or protonation state of specific ligands can be altered, using the 'Library ...
Explore some exciting new updates within Flare V7 and Torx 2.0 (upcoming) in the latest monthly update from Cresset.
Torx software release enhances CRO management capabilities
Exploring what can be achieved with the new covalent warheads, recognized for docking experiments within Flare V7.
리간드 기반 및 구조 기반 모델링을 위한 Cresset 워크벤치의 새로운 버전 7 릴리즈에는 새롭고 향상된 과학적 기능과 방법이 포함되어 있습니다.
The new version 7 release of Cresset’s workbench for ligand-based and structure-based modelling is packed with new and enhanced scientific ...
A chance to catch up on Professor Julien Michel's presentation at this recent Boston Area Group for Informatics and Modeling ...
John Leighton joins Cresset as CFO to help build on significant growth made over last years
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 ...