STEM
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...
Qureight collaborates with AstraZeneca on lung disease research
Cambridge-based data analytics company Qureight has entered into a multi-year collaboration with biopharmaceutical company AstraZeneca. ...
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. ...
University of Warwick and Cresset Drug Design Roadshow
Cresset are excited to announce that they will be hosting the inagural University of Warwick and Cresset Drug Design Roadshow on Wednesday 6th and Thursday 7th September 2023. ...
Cresset's Newsletter July 2023
Welcome to the July Cresset Newsletter
Flare V7: What's new for ligand-based and structure-based drug designers?
Earlier this month, our Principal Application Scientists, Stuart Firth-Clark, and Nathan Kidley led an exclusive online webinar, focused on guiding attendees through the new structure-based functionality (such as GCNCMC in dynamics/FEP; ensemble covalent docking) and ligand-based functi...
Spark™ delivers a broader range of accessible chemistries than ever before with the addition of SureChEMBL fragment databases
New and updated fragment databases from ChEMBL and SureChEMBL are now available in Spark. This new release of databases significantly expands the available chemistry to Spark users by including the latest compounds from scientific literature, as well as previously unseen compounds from ...
Efficiently define complex atom picks for analysis and visualization of your protein-ligand systems
Understanding ligand-protein interactions through visualization is an essential part of scientific reasoning and is a crucial decision-making process that computational and medicinal chemists routinely use. Therefore, scientists need handy tools that can quickly and efficiently perform ...
Gain insights into membrane protein complexes using Molecular Dynamics simulations in Flare™
Running Molecular Dynamics (MD) calculations with membrane proteins is one of the new features recently introduced within Flare. Not only do membrane proteins play a key role in a cell’s biology, but around 20% of the human genome code for them and with regards to therapeutic targets th...