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Journal of Chemical Information and Modeling
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March 7, 2023
Quantifying Functional-Group-like Structural Fragments in Molecules and Its Applications in Drug Design
Goutam Mukherjee, Abdennour Braka, Sangwook Wu
Frontiers in Molecular Biosciences
|
October 28, 2022
Quantum-based machine learning and AI models to generate force field parameters for drug-like small molecules
Sathish Kumar Mudedla, Abdennour Braka, Sangwook Wu
Journal of Chemical Information and Modeling
|
December 14, 2019
Residence Time Prediction of Type 1 and 2 Kinase Inhibitors from Unbinding Simulations
Abdennour Braka, Norbert Garnier, Pascal Bonnet, et al.
Future Medicinal Chemistry
|
April 8, 2016
Advanced molecular dynamics simulation methods for kinase drug discovery
Samia Aci-Sèche, Sonia Ziada, Abdennour Braka, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
March 30, 2018
Enhanced Molecular Dynamics Methods Applied to Drug Design Projects
Sonia Ziada, Abdennour Braka, Julien Diharce, et al.
Scientific Reports
|
September 24, 2022
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.
Chemmedchem
|
January 26, 2023
Second-Generation CD73 Inhibitors Based on a 4,6-Biaryl-2-thiopyridine Scaffold
Rayane Ghoteimi, Abdennour Braka, Céline Rodriguez, et al.
Bioorganic Chemistry
|
January 15, 2021
4-Substituted-1,2,3-triazolo nucleotide analogues as CD73 inhibitors, their synthesis, in vitro screening, kinetic and in silico studies
Rayane Ghoteimi, Abdennour Braka, Céline Rodriguez, et al.
European Journal of Medicinal Chemistry
|
April 26, 2024
Tetrahydropyridine LIMK inhibitors: Structure activity studies and biological characterization
Anthony Champiré, Rayan Berabez, Abdennour Braka, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
March 7, 2023
Quantifying Functional-Group-like Structural Fragments in Molecules and Its Applications in Drug Design
Goutam Mukherjee, Abdennour Braka, Sangwook Wu
Frontiers in Molecular Biosciences
|
October 28, 2022
Quantum-based machine learning and AI models to generate force field parameters for drug-like small molecules
Sathish Kumar Mudedla, Abdennour Braka, Sangwook Wu
Journal of Chemical Information and Modeling
|
December 14, 2019
Residence Time Prediction of Type 1 and 2 Kinase Inhibitors from Unbinding Simulations
Abdennour Braka, Norbert Garnier, Pascal Bonnet, et al.
Future Medicinal Chemistry
|
April 8, 2016
Advanced molecular dynamics simulation methods for kinase drug discovery
Samia Aci-Sèche, Sonia Ziada, Abdennour Braka, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
March 30, 2018
Enhanced Molecular Dynamics Methods Applied to Drug Design Projects
Sonia Ziada, Abdennour Braka, Julien Diharce, et al.
Scientific Reports
|
September 24, 2022
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.
Chemmedchem
|
January 26, 2023
Second-Generation CD73 Inhibitors Based on a 4,6-Biaryl-2-thiopyridine Scaffold
Rayane Ghoteimi, Abdennour Braka, Céline Rodriguez, et al.
Bioorganic Chemistry
|
January 15, 2021
4-Substituted-1,2,3-triazolo nucleotide analogues as CD73 inhibitors, their synthesis, in vitro screening, kinetic and in silico studies
Rayane Ghoteimi, Abdennour Braka, Céline Rodriguez, et al.
European Journal of Medicinal Chemistry
|
April 26, 2024
Tetrahydropyridine LIMK inhibitors: Structure activity studies and biological characterization
Anthony Champiré, Rayan Berabez, Abdennour Braka, et al.
Page
of 1