Md Ackas Ali (0000-0002-8235-3517)

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I am currently working on peptide therapeutics against viral protein including peptide synthesis and characterization by analytical techniques such as mass spectrometry along with theoretical approaches. Based on my previous research experience I also have a research interest in green solvents widely known as Deep Eutectic Solvent (DES), Surfactant-based Drug Delivery, Drug Design, Quantum Calculation (QC), and Molecular Dynamics (MD) simulation.

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Georgia Institute of Technology: Atlanta, US

2024-08-13 to present | Graduate Teaching Assistant (Chemistry and Biochemistry)

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Md Ackas Ali

https://orcid.org/0000-0002-8235-3517

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Employment (3)

Georgia Institute of Technology: Atlanta, US

The Red-Green Research Centre: Dhaka, BD

Kennesaw State University: Kennesaw, GA, US

Education and qualifications (3)

Kennesaw State University: Kennesaw, GA, US

Jahangirnagar University: Savar, Dhaka District, BD

Pirganj Government college: Pirganj, Thakurgoan, BD

Works (30)

Unraveling the impact of ORF3a Q57H mutation on SARS-CoV-2: insights from molecular dynamics

Structure and dynamics of whole-sequence homology model of ORF3a protein of SARS-CoV-2: An insight from microsecond molecular dynamics simulations

Structural and functional effects of the L84S mutant in the SARS-COV-2 ORF8 dimer based on microsecond molecular dynamics study

Antiviral peptides inhibiting the main protease of SARS‐CoV‐2 investigated by computational screening and in vitro protease assay

Structural dynamics and functional analysis of Saprolegnia parasitica chitin synthases 5 in a phospholipid bilayer

Cytotoxicity, Antioxidant Activity, Molecular Docking, and Dynamics Simulation Analysis Against SARS-CoV-2 M and N Protein Models of Phytoconstituents of Micromelum Minutum

Molecular dynamics investigation of ivermectin bound to importin alpha/beta heterodimer

Phytochemicals-based targeting RdRp and main protease of SARS-CoV-2 using docking and steered molecular dynamic simulation: A promising therapeutic approach for Tackling COVID-19

Immunoinformatics and molecular modeling approach to design universal multi-epitope vaccine for SARS-CoV-2

Synthesis of benzimidazole derivatives as potent inhibitors for α-amylase and their molecular docking study in management of type-II diabetes

Comprehensive Characterization of the Coding and Non-Coding Single Nucleotide Polymorphisms in the Tumor Protein p63 (TP63) Gene Using In Silico Tools

A student led computational screening of peptide inhibitors against main protease of SARS‐CoV ‐2

Computational screening of 645 antiviral peptides against the receptor-binding domain of the spike protein in SARS-CoV-2

Identification of potent inhibitors against transmembrane serine protease 2 for developing therapeutics against SARS-CoV-2

Repurposing fusion inhibitor peptide against SARS‐CoV ‐2

Antiviral phytochemicals as potent inhibitors against NS3 protease of dengue virus

A comprehensive computational and principal component analysis on various choline chloride-based deep eutectic solvents to reveal their structural and spectroscopic properties

Remdesivir analogs against SARS-CoV-2 RNA-dependent RNA polymerase

Designing potent inhibitors against the multidrug resistance P-glycoprotein

Structure Elucidation of Menthol-Based Deep Eutectic Solvent using Experimental and Computational Techniques

Impact of salts on the phase separation and thermodynamic properties of mixed nonionic surfactants in absence/attendance of polyvinyl alcohol

Structure and dynamics of membrane protein in SARS-CoV-2

Antiviral Peptides as Promising Therapeutics against SARS-CoV-2

Clouding phenomena and thermodynamics of TX-100 + polyethylene glycol mixture: influence of several electrolytes

Cysteine focused covalent inhibitors against the main protease of SARS-CoV-2

Investigating the binding affinity, interaction, and structure-activity-relationship of 76 prescription antiviral drugs targeting RdRp and Mpro of SARS-CoV-2

Virtual screening, molecular dynamics and structure–activity relationship studies to identify potent approved drugs for Covid-19 treatment

A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2

Synthesis of 2-phenyl-1H-imidazo[4,5-b]pyridine as type 2 diabetes inhibitors and molecular docking studies

Identification of bisindolylmethane-hydrazone hybrids as novel inhibitors of β-glucuronidase, DFT, and in silico SAR intimations