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Discovery & Development Consulting Services
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Partners > Software partners
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We have partnerships with a number of leading software companies. This allows us to offer access to software on a ‘pay as you go’ basis without the need to purchase expensive annual licenses. Current partners include (but are not limited to):
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Chemical Computing Group supply state-of-the-art software for computational chemistry, ranging from fingerprinting and library design methods right through to protein homology modelling and docking methodolgies.
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BioSolveIT provide fast, flexible software for molecular docking/virtual screening, including pharmacophore-directed docking and combi-dock methods.
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Molecular Discovery provide
software based on the GRID force field including software for prediction of
pKa, p450 metabolism prediction, scaffold hopping and ADME-relevant
descriptor calculation.
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Molcode Ltd provide extensive software for
prediction of medicinal chemistry and toxicity properties, such as hERG
binding, serum albumin binding, acute toxicity, blood-brain barrier
penetration and numerous therapeutic target affinity predictions. CompChem
Solutions acts as a
distributor
for the software and can also access the software for use in computational/medicinal chemistry projects for clients. OECD/ECHA compliant HPCV and REACH endpoints are available from the Molcode software. See here for ordering information.
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