Customized force field parameters using a hybrid DFT//GFN2-xTB approach
In this article, we explore how the new hybrid DFT//GFN2-xTB workflow in Flare can generate accurate torsional potential energy profiles ...
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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 ...
Discover how the newly added 'recipes' (code snippets) in the Flare Python Cookbook can support both novice and advanced users ...
The peptide editor in Flare allows researchers to design and modify peptide sequences. It provides a user-friendly interface to input ...
New and enhanced methods in Flare V7, based on our latest science and customer feedback ensure continued support to accelerate ...
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.
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 ...
We're focusing on some quite advanced computational chemistry methods in this month's newsletter, including FEP and customizable Python workflows.