Cresset

cresset computational chemistry software computational chemistry chemistry software drug discovery activity miner field based chemistry virtual screening chemistry medicinal chemistry fieldview field points xedmin andy vinter university of bristol fieldstere 3d qsar drexel university utica college novartis e-therapeutics wolfson institute ucl re-pharm re-profiling medicinal chemists torch cocklin drexel #re-profiling #computationalchemistry molecular modeling library design gpcr activity cliffs compound library biosistere pharmacophore molecular fields knime gpcrs chemotype xedes kinase chembl pharmacophores fieldalign workflow eli lilly molecular editor free download molecular viewer martin slater lessons learned mark mackey new business business history hydrogen bond strength scaffold hopping xed force field electrostatic potential electrostatic field h-bond galapagos xed molecular mechanics xedex bude graphics processors docking engine graphics processing unit bristol university open compute language energy efficiency gpu opencl energy saving peptide screening biolauncher consensus based library next generation sequencing cresset group molecular evolution protein scaffolds isogenica cis display chemist computer chemistry synthesis bioisostere bioisostere search fragment growing structure activity relationship 3d molecular design predictive design molecular architect sar qsar