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forlilab.bsky.social
ForliLab
@forlilab.bsky.social
Molecular Modeling & Drug Design. The lab of Stefano Forli at Dept. of Integrative Structural & Computational Biology at @scripps.edu

Home of the AutoDock

https://forlilab.org/
Congratulations to Dr. Ishan Taneja on successfully defending his thesis “Computational Methods for Sampling Alternative Protein Conformations and Modeling Desolvation Upon Protein-Ligand Binding”! He is officially a "Team Forli" graduate!!
November 25, 2025 at 9:25 PM
Reposted by ForliLab
Congratulations to eleven Scripps Research scientists named to the global list of #HighlyCited2025 Researchers by @clarivate.com, which recognizes individuals who exemplify research excellence and broad influence across fields including chemistry, microbiology, neuroscience and more.
Scripps Research scientists honored on Clarivate’s Highly Cited Researchers list
ow.ly
November 14, 2025 at 7:20 PM
Excited to announce a preprint describing our software package Meeko! Meeko is a Python package that uses RDKit for receptor and ligand preparation, including protonation, bond order, and connectivity and processing of docking results. It is customizable and suitable for high-throughput workflows.
September 18, 2025 at 12:37 AM
Reposted by ForliLab
Excited to share a new preprint from the lab. We show that PTMs like phosphorylation & glycosylation dynamically reshape proteome-wide ligandability in cells, including proteins like KRAS. Great collaboration with the Huang Lab, @forlilab.bsky.social and BMS. www.biorxiv.org/content/10.1...
Post-Translational Modifications Remodel Proteome-Wide Ligandability
Post-translational modifications (PTMs) vastly expand the diversity of human proteome, dynamically reshaping protein activity, interactions, and localization in response to environmental, pharmacologi...
www.biorxiv.org
August 3, 2025 at 2:36 PM
Huge congratulations to Dr. Althea Hansel-Harris on successfully defending her thesis, "Virtual Drug Discovery for Cancer Biology"! Best of luck as you return to medical school at UCSD — we’re excited to see all the amazing things you’ll accomplish! #dr #futuredrdr
April 9, 2025 at 5:34 PM
Excited to share our new paper: www.nature.com/articles/s42...! We've compiled the LILAC-DB, a dataset of small molecules bound to membrane proteins at the protein-lipid bilayer interface. (1/5)
A quantitative analysis of ligand binding at the protein-lipid bilayer interface - Communications Chemistry
Targeting membrane proteins at sites embedded in the lipid bilayer offers the potential to discover ligands for undruggable targets; however, ligand binding at the protein-membrane interface remains u...
www.nature.com
March 26, 2025 at 5:45 PM
Reposted by ForliLab
Another big publication from @sijiewang.bsky.social this week. Check out our efforts to use mRNA display to screen for covalent binding inhibitors of Staphylococcus aureus serine hydrolases. pubs.acs.org/articlesonre...
pubs.acs.org
February 27, 2025 at 4:54 PM
A great read for these dire times
February 9, 2025 at 4:15 AM