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constant pH molecular dynamics (CpHMD)

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1
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1

1 constant ph molecular dynamics (cphmd) supplier across 1 states and provinces in 1 country. Profiles show capabilities, materials, certifications, and facility locations so you can compare shops and build a shortlist.

Suppliers

COMPUTCHEM LLC

BALTIMORE, MD

ComputChem is a software company developing novel computational drug design products that better predict the properties of target-specific drugs. Its first product, iTitrate, uses constant pH molecular dynamics (CpHMD) to accurately predict pKa values of titratable residues to improve early-stage drug development. A second product, iKa, predicts small molecule pKa values using machine learning models trained on large experimental data sets.

computer-aided drug designMachine Learning modelspKa prediction

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