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List of works by Stefano Forli

"Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates

scientific article published on 21 December 2017

Accelerating AutoDock4 with GPUs and Gradient-Based Local Search

scientific article published on 06 January 2021

AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings

scientific article published on 19 July 2021

Charting Hydrogen Bond Anisotropy

scientific article published on 10 March 2020

Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4

scientific article published on 06 November 2019

D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU

scientific article published on 06 November 2019

Discovery of small-molecule enzyme activators by activity-based protein profiling

scientific article published on 08 June 2020

Expedited mapping of the ligandable proteome using fully functionalized enantiomeric probe pairs

scientific article published on 28 October 2019

Global profiling of lysine reactivity and ligandability in the human proteome.

scientific article published on 31 July 2017

Humanized GPIbα-von Willebrand factor interaction in the mouse

scientific article published on 01 October 2018

Initial Analysis of the Arylomycin D Antibiotics

scientific article published on 02 July 2020

Integrative X-ray Structure and Molecular Modeling for the Rationalization of Procaspase-8 Inhibitor Potency and Selectivity

scientific article published on 23 January 2020

Integrative modeling of the HIV-1 ribonucleoprotein complex

scientific article published on 13 June 2019

Massive-Scale Binding Free Energy Simulations of HIV Integrase Complexes Using Asynchronous Replica Exchange Framework Implemented on the IBM WCG Distributed Network

article

Orphan receptor GPR158 serves as a metabotropic glycine receptor: mGlyR

scientific article published on 31 March 2023

Proteome-wide covalent ligand discovery in native biological systems

scientific article

Ringtail: A Python Tool for Efficient Management and Storage of Virtual Screening Results

scientific article published in 2023

Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPARγ Drug Pioglitazone

scientific article published on 07 February 2019

Structural basis for strand-transfer inhibitor binding to HIV intasomes

scientific article

Structure, lipid scrambling activity and role in autophagosome formation of ATG9A

scientific article published on 26 October 2020

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

scientific article published on 29 July 2020

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

scientific article published on 16 December 2020

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