CompChem Observer

Conferences, workshops and schools in computational chemistry

CCPBioSim Industry Talk: 3D Quantum Mechanics–Driven Hydrophobicity Descriptors to Navigate Chemical Spaces: Methodology and Applications…

Dates
Type
webinar
Format
online
Location
Online
Organiser
CCPBioSim
Cost
Free
Official page
https://ukri.zoom.us/webinar/register/WN_WCaCoetpRTGQyxFfGoeWVw
Dates from
https://jmhutson.webspace.durham.ac.uk/mdn/
Topics
cheminformaticsdrug-designelectronic-structure

An industry talk by Dr Beth Tuerk from Pharmacelera on a QM-derived 3D molecular-field methodology in PharmScreen and exaScreen platforms. Applications include CACHE#5 MCHR1 antagonist screening, fragment expansion with Domainex, and JAK kinase selectivity analysis.


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