About COMPUTCHEM, LLC
ComputChem is a software company developing computational drug design products that better predict the properties of target-specific drugs. Their first product, iTitrate, uses constant pH molecular dynamics to accurately predict pK a values of titratable residues for early-stage drug development.
Development of computational drug design productsAccurate prediction of pK a values of titratable residues using constant pH molecular dynamics (CpHMD)Utilization of machine learning models for small molecule pK a predictionSimulation of acid-base titration experimentsImprovement of computer-aided drug design tools and techniques
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