computer-aided drug design

Acheminall Corporation works on drug discovery and development of small molecule therapeutics to treat schistosomiasis and breast cancer. Its work includes computer-aided drug design, photoreactive chemical probes, target engagement, small molecule drug design, synthetic organic chemistry, and virtual screening.

photoreactive chemical probessmall molecule drug designsynthetic organic chemistrytarget engagementvirtual screening

ChemoGenics BioPharma is a drug discovery research and service organization providing preclinical drug discovery services to pharmaceutical, biotechnology, academic and government institutions globally. It has facilities in the Research Triangle Park Area in the United States and serves clients in the U.S. and Europe. Its core team has 10+ years of experience in preclinical drug discovery, with strengths in medicinal chemistry, cheminformatics, bioinformatics, ADMET and in vivo pharmacology in metabolic disease, oncology and inflammation.

analytical chemistryBioinformaticscGMP manufacturing of APIcheminformaticscloningcustom synthesisin vitro ADMEIn vivo PK/PDmedicinal chemistrymolecular modelingProcess optimization and scale upRecombinant protein synthesis

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.

constant pH molecular dynamics (CpHMD)Machine Learning modelspKa prediction