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Durggashni Santhiran

Najwani

Hana Atiqah Abdul Karim

DNA self-assembly through molecular
dynamics simulations for drug delivery application

Molecular modeling studies
Beta-Cyclodextrin and quaternary ammonium carions

Peptide docking of HIV-1 p24

with single chain fragment

variable (scFv) by CDOCKER algorithm

Dr. Hadieh Monajemi

Dr. Mayasah Al Nema

Dr. Naimah Haron

A new step in kinetic proofreading

due to misacylated-tRNA

during ribosomal peptide

Evaluation of the acute oral toxicity

and antipsychotic activity

of a dual inhibitor of PDE1B

and PDE10A in rat model of schizophrenia

Microstructures, interactions and dynamics

properties studies of

aqueous guanidinium triflate ionic liquid

from molecular dynamics simulations

Dr. Sri Devi Sukumaran

Dr. Wei Lim Chong

Dr. Vertika Gautam

Computational screening and identifying binding

interaction of anti-viral

and anti-malarial drugs:

Toward the potential cure for SARS-CoV-2

Molecular dynamics simulations and

Gaussian network model for

designing antibody mimicking

protein towards dengue envelope protein

Artificial intelligence and machine-learning

approaches in structure and

ligand-based discovery of

drugs affecting central nervous system

Nadia Hanim Sabri

Ameerul Hazeeq

Yam See Chuan

Cholinesterase Inhibitory Activity,

Kinetic and Molecular Docking Studies of

N-(1-substituted-1H-1,2,3-triazole-4-yl)-

aralkylamide Derivatives

Electronic, Magnetic and Structural Properties

of Co3O4 (100) Surface: A DFT+U Study

Correlation between polar surface area

and bioferroelectricity in

DNA and RNA nucleobases

Dr. Ayesha Fatin

Diyana Mohd Isa

Vinoshini Varagunan

Docking studies reveal zerumbone targets

β-catenin of the Wnt–β-catenin

pathway in breast cancer

Dynamics and binding interactions

of peptide inhibitors of dengue virus entry

Binding interaction of compounds in MicroPAD

Last Update: 03/04/2023