AI-ACCELERATED DRUG DISCOVERY

Scientific Publications

November 25, 2022

3DProtDTA: the deep learning model for drug-target affinity prediction based on the residue-level protein graphs

November 19, 2022

Novel fat taste receptor agonists curtail progressive weight gain in obese male mice

July 25, 2022

Identification of dual-targeted Mycobacterium tuberculosis aminoacyl-tRNA synthetase inhibitors using machine learning

April 22, 2022

Amphiphilic anti-SARS-CoV-2 drug remdesivir incorporates into the lipid bilayer and nerve terminal membranes influencing excitatory and inhibitory neurotransmission

April 19, 2022

Identification of novel small-molecular inhibitors of Staphylococcus aureus sortase A using hybrid virtual screening

April 1, 2022

Molecular modeling in cardiovascular pharmacology: current state of the art and perspectives

November 2, 2021

Selective inhibition of STAT3 with respect to STAT1: insights from molecular dynamics and ensemble docking simulations

May 6, 2021

Biochemistry of Lipids Lipoproteins and Membranes (Seventh Edition) - Chapter 1 - Functional roles of lipids in biological membranes

April 9, 2021

Membrane Environment Modulates Ligand-Binding Propensity of P2Y12 Receptor

November 9, 2019

Dual-target inhibitors of mycobacterial aminoacyl-tRNA synthetases among N-benzylidene-N'-thiazol-2-yl-hydrazines

November 6, 2019

Dual-targeted hit identification using pharmacophore screening

November 1, 2019

381P - XKR8 is a promising potential prognostic marker in glioblastoma multiforme patients