Latham BioPharm Group Announces Publication of Team Member Paper in Leading Scientific Journal
BALTIMORE, September 21, 2022 /PRNewswire/ — Latham Biopharm Group (LBG), in collaboration with researchers from RA Capital Management and Nostrum Biodiscovery, recently published an article in the Journal of Chemical Information and Modeling (JCIM).
The document, which is entitled “Are deep learning structural models accurate enough for free energy calculations? Application of FEP+ to AlphaFold2 predicted structures“, was written by a member of the LBG team Thijs BeumingPh.D., senior consultant and several co-authors.
The recently published study demonstrates the successful use of AlphaFold protein structures in structure-based lead optimization studies.
The AlphaFold methodology holds great promise for enabling structure-based drug discovery programs for targets where experimental structure determination has not been possible. However, it is uncertain whether these structures are sufficiently accurate as starting points for quantitative power prediction.
In the study, Dr. Beuming and his co-authors show that in a large number of cases, these predicted structures produce results that are just as accurate as with crystal structures when used with a state-of-the-art computational algorithm ( Free Energy Disturbance, or FEP). This discovery opens the door to widespread application of FEP in drug discovery programs.
“The work of Thijs and his collaborators demonstrates practical applications of deep learning in the field of drug discovery,” says Joshua Speidel, Ph.D., Managing Partner, LBG. “Their work has the potential to greatly expand the relevance of computationally-based lead optimization where available data has previously limited efforts, and paves the way for the identification of novel drug treatments for important diseases. “
To view the document, click on here.
A peer-reviewed scientific journal, the Journal of Chemical Information and Modeling publishes articles reporting new methodologies and/or important applications in the fields of chemical informatics and molecular modeling. It is considered the leading journal specializing in computer-aided drug design. For more information, visit Journal of Chemical Information and Modeling (acs.org).
About Latham BioPharm Group
Latham BioPharm Group (LBG) is a leading life sciences consulting firm that works with pharmaceutical, biotechnology, CRO, academic and medical device/diagnostic companies to solve complex business, regulatory and product development issues . Since 1996, LBG has been helping life science companies large and small drive long-term value in their organizations. The company’s core services include product development, non-dilutive financing and strategic consulting. For more information, visit www.lathambiopharm.com.
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SOURCE Latham BioPharm Group