The latest computational chemistry news from Cresset.
Computational chemistry news from Cresset March 2018
Flare: Accessible structure-based design
Tim Cheeseright, Director of Products, describes how a balance of usability and flexibility, with a focus on design and accessible methods, have contributed to accessible structure-based design with Flare™.
New Spark databases released
The release of Spark™ V10.5 in February brought completely new Spark databases. Derived from molecules in ZINC, eMolecules’ Screening Compounds and ChEMBL 23, they include over 3 million unique entities.
Full speaker line-up announced for The Cresset User Group Meeting
With speakers representing 7 countries across 4 continents, the scientific program for The Cresset User Group Meeting will give attendees insight to the use of computational chemistry in industry and academia.
Recent presentation, poster and citations
- Using molecular fields to understand molecular determinants of the olfaction process, 255th ACS, CINF, Fragrances, Food and Cheminformatics
- Adding pharmacophores to shape and electrostatics – too much of a good thing?, 255th ACS, COMP
- Structure-activity modelling of essential oils, their components, and key molecular parameters and descriptors, Molecular and Cellular Probes
- Design and synthesis of a potent, highly selective, orally bioavailable, retinoic acid receptor alpha agonist, Bioorganic and Medicinal Chemistry
Review of 255th American Chemical Society Meeting
Martin Slater, Director of Consulting Services, reviews his first experience of ACS. From fragrances, food and cheminformatics to GPCRs it proved to be both exhilarating and enlightening.
- April 2-6: Drug Discovery Chemistry, San Diego, CA, USA Meet us on stand 502 and see our poster: Deciphering Kinase SAR using Electrostatics
- April 5: Applied Pharmaceutical Chemistry, Boston, MA, USA See our poster: Deciphering Kinase SAR using Electrostatics
- April 9-13: CCPBioSim Training Week, Bristol, UK We are proud to be supporting CCPBioSim is their drive to improve and integrate biomolecular simulation software
- April 11-12: UK QSAR and MGMS Structure-Activity Relationships, Cardiff, UK Meet us on stand 5 in the exhibit hall
- April 26: 29th Symposium on Medicinal Chemistry in Eastern England, Hatfield, UK See our poster: Deciphering Kinase SAR using Electrostatics
- April 29: 36th National Medicinal Chemistry Symposium, Nashville, TN, USA Meet us in the exhibit hall
Cresset Commercial Director to run 19th marathon
On April 29, David Bardsley will run his 19th marathon in Newport, Wales, UK. David is fundraising for DEBRA, a charity that supports individuals and families affected by Epidermolysis Bullosa – a painful genetic skin blistering condition.
Computational solutions for drug discovery