📋 Tender Overview
Doing Charges Right: Modelling Ion-Controlled Biological Processes With The Correct Toolbox
A Charge-Scaled Force Field Model Of Ion-Related Biological Processesbiological Systems Rely On The Flow Of Electrical Charge For Myriad Signalling Functions, Often Carried Out By Ions Rather Than Electrons. Modelling These Processes Is A Prerequisite To Understanding Them And Harnessing The Insight In Therapies For Ion-Related Pathologies. However, Current Models Lack A Description Of An Important Effect Of Ions On The Environment, Namely Electronic Polarisation, Which Results In Inaccuracies. Funded By The European Research Council, The Q-Scaling Project Will Address This Deficiency Using Machine Learning Techniques. The Aim Is To Build A De Novo Comprehensive Force Field For Biological Systems That Accounts For Electronic Polarisation In A Mean-Field Way Via Charge Scaling. The Newly Developed Charge-Scaled Force Field Model Will Enable Accurately Addressing Ion-Specific Processes From Molecular To Organ Levels.
Funded Under
European Research Council (Erc)
Total Cost
€ 2 499 115,00
Eu Contribution
€ 2 499 115,00
Coordinated By
Ustav Organicke Chemie A Biochemie, Av Cr, V.V.I.
Czechia
