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Reality Grid AHM Experiment Measuring protein-peptide binding energies -44G ind is vital for e. g. understanding fundamental physical processes at play at the molecular level, for designing new drugs Computing a pept otide-protein binding energy traditionally takes weeks to months We have developed a grid ligand based method to accelerate this process We computed 44Ghind during the uK ami.e. Src SH2 domain in less than 48 hoursRealityGrid AHM Experiment • Measuring protein-peptide binding energies – ∆∆Gbind is vital for e.g. understanding fundamental physical processes at play at the molecular level, for designing new drugs. • Computing a peptide-protein binding energy traditionally takes weeks to months. • We have developed a grid￾based method to accelerate this process. We computed ∆∆Gbind during the UK AHM i.e. in less than 48 hours ligand Src SH2 domain
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