A. Braka

Residence Time Prediction of Type 1 and 2 Kinase Inhibitors from Unbinding Simulations

A. Braka, Norbert Garnier, Pascal Bonnet et al. · Journal of Chemical Information and Modeling · 2019 · 28 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

An mRNA vaccine against SARS-CoV-2: Lyophilized, liposome-based vaccine candidate EG-COVID induces high levels of virus neutralizing antibodies

Hsiang Hong, Kwang Sung Kim, Shin Ae Park et al. · bioRxiv (Cold Spring Harbor Laboratory) · 2021 · 20 citations · Full text

Veterinary Medicine, Immunology, Infectious Diseases +17

4-Substituted-1,2,3-triazolo nucleotide analogues as CD73 inhibitors, their synthesis, in vitro screening, kinetic and in silico studies

Rayane Ghoteimi, A. Braka, Céline Rodriguez et al. · Bioorganic Chemistry · 2020 · 17 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +8

Bell-Evans model and steered molecular dynamics in uncovering the dissociation kinetics of ligands targeting G-protein-coupled receptors

Muhammad Jan Akhunzada, Hyun Jung Yoon, Indrajit Deb et al. · Scientific Reports · 2022 · 14 citations · Full text

Pharmacy, Pharmacokinetics, Pharmacology +17

Quantum-based machine learning and AI models to generate force field parameters for drug-like small molecules

Sathish Kumar Mudedla, A. Braka, Sangwook Wu · Frontiers in Molecular Biosciences · 2022 · 14 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17