Technology
Flare™ V7 released: Access enhanced docking, better QSAR models and even more accurate FEP/ MD results
The new version 7 release of Cresset’s workbench for ligand-based and structure-based modelling is packed with new and enhanced scientific features and methods, including enhanced sampling of hydration patterns with Grand Canonical Nonequilibrium Candidate Monte Carlo (GCNCMC1) for mole...
Allostery under the lens of molecular dynamics simulations
On Wednesday 26th April 2023, we sponsored a virtual session hosted by the Boston Area Group for Informatics and Modeling (BAGIM) and their equivalent group in San Diego, SAGIM. Professor Julien Michel, Professor of Biomolecular Simulation at The University of Edinburgh and member of C...
Looking 'under the hood': using pyflare to streamline hit identification
Background Assessing the binding potency of millions of different compounds against a common protein target presents many challenges in a wet laboratory. Even with advanced lab robotics and automation platforms, wet laboratory high-throughput screening (HTS) is still hindered by time, ...
Orientate your proteins on ligand superimposition using the Flare™ Python API
The importance of protein and ligand orientation during 3D visualization The orientation of protein structures is a simple yet essential manipulation in any 3D visualization tool for medicinal and computational chemists. In silico workflows during early-stage hit and lead identificatio...
Using molecular dynamics to produce an ensemble of protein conformations for more biologically relevant docking experiments
Introductory Overview Earlier today, our Application Scientists, Abhijit Kayal and Ryuichiro Hara, led an exclusive online webinar session, focused on demonstrating how Molecular Dynamics and docking can work in synergy as an advanced research technique. ...
Identify the most active chemical structures with key desired properties through R-group decomposition and analysis
Drug discovery research often involves making small modifications to a compound and studying the subsequent effect on activity. Once a closely related series of compounds has been made and tested, it is very important to analyze which of the substituents enhances activity, and to also k...
AudioTelligence breaks new ground in Assistive Tech with Earbud Assistive Listening Case
AudioTelligence announces its innovative new product concept, which for the first time integrates assistive listening technology into an earbud charging case. This world-first combination of hearing technology with earbud charging facilities provides manufacturers with a comprehen...
Abzena appoints Thomas Castellano as Chief Financial Officer
Abzena, the leading end-to-end integrated CDMO for complex biologic molecules and Antibody Drug Conjugates (ADCs) has announced the appointment of Thomas Castellano, as Chief Financial Officer. ...
CMR Surgical ramps up virtual reality offering in world first VR simulator training
Versius® becomes the first soft-tissue surgical robotic system to feature a headset-based virtual reality simulator as part of its metrics-based training pathway ...
Cambridge Enterprise celebrates a year of innovation and economic growth
Cambridge Enterprise, the research commercialisation arm of the University of Cambridge, marked its 15th anniversary with a remarkable series of achievements. ...