Latest from the Jorgensen Foundation
Jorgensen Foundation Launches
The Jorgensen Foundation officially opens its doors, bringing four decades of Yale computational chemistry research to researchers worldwide through a cloud-based platform. BOSS, MCPRO, BOMB, FEP, OPLS force fields, and the molecular visualisation suite are now accessible from any browser — no installation required.
Read More →BOSS Version 5.0 Now Available
BOSS 5.0 brings significant performance improvements to Monte Carlo sampling, updated OPLS-AA/L parameters for expanded functional group coverage, and a redesigned input interface that reduces setup time for new simulations. Existing calculations are fully compatible with no migration required.
Read More →New FEP Calculations for SARS-CoV-2
A new study using MCPRO and FEP calculations identifies potent inhibitors of the SARS-CoV-2 main protease, demonstrating sub-nanomolar predicted binding affinities for a series of novel peptidomimetic compounds. The work showcases the platform's drug discovery pipeline in an urgent therapeutic context.
Read More →Academic Grant Program Opens Applications
The Jorgensen Foundation's academic grant program is now accepting applications for the 2026–2027 cycle. Grants support graduate student and postdoctoral researcher travel to international computational chemistry conferences, with awards of up to $2,500 per recipient. Applications close 31 July 2026.
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