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/
Home of the AutoDock
https://forlilab.org/
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
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.
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
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...
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
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
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
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)
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
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...
A great read for these dire times
February 9, 2025 at 4:15 AM
A great read for these dire times