Covalent docking in Flare™ V7: new covalent warheads
Docking in Flare™ is one of the platform’s most popular functions, providing its users with detailed feedback on new molecule designs, high enrichment in virtual screening, and excellent pose prediction.
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 Noneq
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.
Cresset appoints first Chief Financial Officer
As a consequence of recent investment from Scottish Equity Partners, we are delighted to welcome John Leighton to the Board and Executive Management team.
Cresset April 2023 Newsletter
Explore some advanced computational chemistry methods such as FEP and Python workflows, alongside a range of exciting news in the Cresset April newsletter!
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.
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.
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
March Cresset Newsletter
Explore the upcoming features within the upcoming Flare v7 software release, alongside a range of exciting news and updates in the Cresset March newsletter!
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.
Cresset February 2023 Newsletter
After another busy month, our February monthly update newsletter includes features around Spark database updates, protein degradation therapeutics, and more!
Spinout develops open-source software for the pharmaceutical industry
A group of university research scientists has formed a startup to adapt open-source academic chemical software for use in the pharmaceutical industry.
CAS and Torx Software collaborate to streamline and accelerate small molecule discovery and design
Torx® Software Limited, provider of the ground-breaking Torx technology platform for managing small molecule discovery chemistry, today announced a collaboration with
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 litera
Cresset January 2023 Newsletter
After a busy start to 2023, our January monthly update newsletter includes features around Flare Visualizer, Virtual Screening, Molecular Dynamics, and more!
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.
University of Exeter enters virtual screening collaboration with Cresset Discovery to accelerate discovery of novel antimicrobial drugs
Cresset Discovery, provider of molecular modeling expertise for drug discovery, is collaborating with the University of Exeter to find new antimicrobial drugs.
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.
EPSRC-funded software for research communities project to position OpenMM community at forefront of latest CADD developments
A recent EPSRC application in support of a more sustainable, community-driven development model of OpenMM.
Cresset shares December 2022 newsletter
The Cresset December 2022 newsletter features Dr Robert Scoffin's CEO end of year message, and radial plots in Flare and Spark.
Cresset CEO’s end of year message 2022
As we near the end of another year, Dr Robert Scoffin, CEO of Cresset, reflects on the events of 2022
Computational chemistry news from Cresset, November 2022
Computational chemistry news including new science for rapid exploration and analysis of lead compounds and ligand series, and effective communication of project results, ready-to-use Flare Python Cookbook recipes include the ability to focus on results relevant for your project, quickly explore
Cresset's October 2022 Newsletter
Read about Cresset's latest case studies, published papers, and upcoming events
Cresset's September 2022 Newsletter
Introducing Hit Expander and a sneak peek at Flare V6.1; molecular modeling to deliver corporate objectives
Cresset secures significant growth funding from SEP
Cresset, a drug discovery software scaleup, raises growth capital from SEP to accelerate its product development and international expansion.