eSupervisor Detail

About me

I am a graduate researcher in the molecular medicine department, Universiti Malaya. I have ample experience in bioinformatics/structural computational simulations including in molecular docking (VINA docking) and molecular dynamics (GROMACS and HTMD). Furthermore, I have conducted two randomized, placebo-controlled clinical trials. Some additional skills include include PLIP for ligand interactions, mmPBSA for mmgbsa/mmpbsa energetics, and R coding for data processing and plotting.

Interests: I am actively conducting molecular dynamics simulations for mycologic proteins, using advance sampling techniques with HTMD to identify binding configurations. Briefly, adaptive sampling simulations are conducted, where generations of short simulations (up to 10ns) are repeated according to binding goals (ie. ligand-receptor contact), and the simulations are then analyzed using time-independent clustering analysis to explore the evolution of protein conformations, in the presence of a ligand. On the other hand, for my clinical trial analyses I performed generalized equation modelling to test estimands, further supported by multiple imputations, covariate analyses, biomarker-association analyses, and post-hoc power testings.