UBU-SCI Research

#	Name	Keywords	Year
1	Designing Novel InhA Inhibitors for Antituberculosis Agents Using ab Initio Fragment Molecular Orbital Calculations	Chemical structure Inhibitors Molecular mechanics Noncovalent interactions Reaction products	2025
2	Elucidating specific interactions for designing novel pyrrolamide derivatives as potential GyrB inhibitors based on ab initio fragment molecular orbital calculations	DNA gyrase; GyrB; M. tuberculosis; fragment molecular orbital; in silico drug design; inhibitor; molecular dynamics; molecular mechanics; pyrrolamides; specific interactions.	2025