NEWS
2024 NCATS Assay Guidance Manual in silico drug discovery workshop
/
I was honored to speak at the NCATS Assay Guidance Manual in silico drug discovery workshop, hosted virtually 23-24 Oct 2024. I presented an overview of modern physics-based free energy calculations for drug discovery, highlighting the open source ecosystem from Open Free Energy, Open Force Field, and other Open Molecular Software Foundation (OMSF) projects.
My slides are available via Google Slides (CC-BY 4.0)
OpenEye CUP XXIII talk: ML/MM REPEX/ATM FEP/MBAR RBFEs and You
/
I had the privilege of being called on to give the final talk of this year’s OpenEye CUP XXIII to close an engaging meeting full of excitement for structure-based drug discovery. In this talk, I highlight the rapid work going on in machine learned (ML) potentials and their growing role in alchemical free energy calculations for structure-enabled drug discovery, and close with a provocative opportunity for the future of computer-aided drug discovery. [PDF]
CADD GRC 2023 talk
/
I’m thrilled to have the opportunity to speak about the COVID Moonshot (and its successor, ASAP) at the 2023 Computer Aided Drug Discovery Gordon Research Conference. A copy of my slides can be found here: [PDF]
Celebrating ten years at MSKCC
/
Today, I had the privilege of giving the SKI Talk at MSKCC, and talk about what our lab has been up to the last few years. It’s been an amazing decade, and it was a pleasure to share some of the highlights since the last SKI Talk just four years ago.
You can find a copy of my talk slides here: [PDF]
RECOMB 2022 talk: The COVID Moonshot and the new ASAP AViDD Center
/
I was delighted to have the opportunity to speak about the COVID Moonshot and our new ASAP AViDD Center. You can find a copy of my slides here: [PDF]
