BioAscent enhances its computational chemistry services

Ongoing recruitment strengthens teams in all areas of integrated discovery

NEWHOUSE, UK (May 4, 2021)BioAscent, the leading provider of integrated drug discovery services, has appointed Dr Angelo Pugliese as Associate Director of In Silico Discovery and Data Analysis to lead the company’s computational chemistry service. As well as enhanced computational chemistry capabilities, BioAscent has also strengthened its medicinal chemistry team with the appointment of Dr Duncan McArthur as Associate Director. The new appointments underline the company’s continuing growth in all areas of drug discovery services.

Computational chemistry, molecular modelling, CADD (Computer-Aided Drug Design), cheminformatics and data analysis applications help reduce R&D costs and time and add valuable scientific insights. BioAscent’s computational drug designers use a state-of-the-art hardware and software platform and can, for example, run ultra-large virtual screenings of billions of compounds in a ligand-based fashion, and millions of compounds in a structure-based fashion. Full computational chemistry services include: In silico target assessment; Protein modelling; Ligand modelling; Library design; In silico hit finding; Protein-ligand interaction analysis; Fragment-based drug design; Lead optimisation; Cheminformatics; and Machine learning and data analysis.  

Headed by Dr Pugliese, a highly experienced computational chemist with over 15 years’ experience working across different organisations in the US and UK, and co-author on more than 30 publications, BioAscent’s computational chemistry team works in concert with its medicinal chemistry and biosciences groups, applying the right computational methodologies to help drive successful drug discovery projects for our customers.  

The recently appointed Associate Director Medicinal Chemistry, Dr McArthur, has worked in the pharmaceutical and not-for-profit sectors for over 18 years. With broad scientific expertise in oncology and other therapeutic areas, working in both lead finding and lead optimisation project teams, Dr McArthur is expert in fragment-based hit finding strategies and developing HTS campaigns.

Commenting on the appointments Paul Smith, BioAscent’s CEO, said: “Access to state-of-the-art equipment and facilities is one aspect that sets us apart, however it’s the calibre of our scientific team that’s the real basis of our success, especially with innovative and virtual biotechs. Which is why we’ve moved to appoint senior scientists with the expertise of Angelo and Duncan. They join a team of over 50, dedicated to delivering successful drug discovery projects efficiently and cost-effectively for our clients. 

For more information, about BioAscent, visit


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