The Open Force Field Initiative: An update on its progress and plans
Force fields provide critical infrastructure underlying a broad range of molecular modeling for drug discovery. Learn more in this recent ...
News
Force fields provide critical infrastructure underlying a broad range of molecular modeling for drug discovery. Learn more in this recent ...
In this article, we explore how the new hybrid DFT//GFN2-xTB workflow in Flare can generate accurate torsional potential energy profiles ...
We're pleased to announce the release of Torx 2.0 and the Flare Python Cookbook V3.0, alongside a variety of new ...
Although the World Health Organization (WHO) has declared that Covid-19 no longer represents a global health emergency, the threat from ...
Explore some exciting new updates within Flare V7 and Torx 2.0 (upcoming) in the latest monthly update from Cresset.
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 ...
Find out what’s involved in running a Free Energy Perturbation (FEP) project and how Cresset Discovery can support or completely ...
We're focusing on some quite advanced computational chemistry methods in this month's newsletter, including FEP and customizable Python workflows.
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 ...
A recent EPSRC application in support of a more sustainable, community-driven development model of OpenMM.