M. Halim

发表

Potential antiviral peptides against the nucleoprotein of SARS-CoV-2

Md Abu Sufian, Md. Ackas Ali, Rajib Islam, 2022, Chemical Papers.

Experimental and computational studies on Transition metals Interaction with Leucine and Isoleucine

Md. Ackas Ali, I. Shahriar, M. Halim, 2022, Journal of Molecular Structure.

A review on structural, non-structural, and accessory proteins of SARS-CoV-2: Highlighting drug target sites

M. Halim, Md Jahirul Islam, Nafisa Nawal Islam, 2022, Immunobiology.

Isolation and In Silico Prediction of Potential Drug-like Compounds with a New Dimeric Prenylated Quinolone Alkaloid from Zanthoxylum rhetsa (Roxb.) Root Extracts Targeted against SARS-CoV-2 (Mpro)

F. Tabassum, C. M. Hasan, M. Ahsan, 2022, Molecules.

Probing the non-bonding interaction of small molecules with graphene oxide using DFT based vibrational circular dichroism

F. Ahmed, M. Mahbubur Rahman, M. Halim, 2021, Computational and Theoretical Chemistry.

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

Zannatul Ferdous Sonia, Md. Rejwanul Hossain, M. Uddin, 2021, Molecular Simulation.

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

M. Islam, S. Saif, Md Samiul Bashir, 2021, Computers in Biology and Medicine.

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

A. Mamun, M. Uddin, Md. Ackas Ali, 2021, Journal of biomolecular structure & dynamics.

Designing potent inhibitors against the multidrug resistance P-glycoprotein

M. Islam, S. Fakayode, M. Khan, 2021, Journal of biomolecular structure & dynamics.

In silico peptide-based therapeutics against human colorectal cancer by the activation of TLR5 signaling pathways

M. O. Ullah, Md. Ackas Ali, Sourav Biswas, 2023, Journal of Molecular Modeling.

Acidic and Basic Amino Acid-based Novel Deep Eutectic Solvents and Their Role in Depolymerization of Lignin

D. Raynie, Ranen Roy, M. Halim, 2022, Journal of Molecular Liquids.

Exploring the molecular level interaction of Xenoestrogen phthalate plasticisers with oestrogen receptor alpha (ERα) Y537S mutant

S. Fakayode, M. A. Halim, S. O. Fakayode, 2022, Molecular Simulation.

Repurposing fusion inhibitor peptide against SARS‐CoV‐2

Md Abu Sufian, M. Islam, Md. Rimon Parves, 2021, J. Comput. Chem..

Assessment of mixed micellization behavior of amitriptyline hydrochloride and TX-165 surfactant mixture in various media (aqueous/NaCl/urea)

A. Asiri, Naved Azum, S. Alfaifi, 2023, Journal of Molecular Liquids.

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

M. Islam, M. O. Ullah, Md. Rimon Parves, 2023, Journal of biomolecular structure & dynamics.

Large scale peptide screening against main protease of SARS CoV‐2

M. Islam, Md. Ackas Ali, H. Akhter, 2022, J. Comput. Chem..

Analysis of Ten Microsecond simulation data of SARS-CoV-2 dimeric main protease

M. Hasanuzzaman, S. Mahmud, Md. Rimon Parves, 2020, bioRxiv.

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

M. O. Ullah, Md. Ackas Ali, Shaila Akter, 2022, Journal of biomolecular structure & dynamics.

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

A. Mamun, M. O. Ullah, M. Halim, 2020, Journal of biomolecular structure & dynamics.

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

Md. Ackas Ali, Md Sajjadur Rahman, M. Saha, 2021, The Journal of chemical physics.

Environmental Heat Stress Among Young Working Women: A Pilot Study.

S. Fakhruddin, Juma Rahman, Juma Rahman, 2017, Annals of global health.

Conformational characterization of the intrinsically disordered protein Chibby: Interplay between structural elements in target recognition

W. Choy, L. Konermann, R. Killoran, 2016, Protein science : a publication of the Protein Society.

Q531L mutation in the capsid protein of hepatitis E virus genotype 1 causes infections in patients with altered immunity and immunosuppressive condition: Mechanism based on wet lab and in-silico findings

M. Uddin, Md. Ackas Ali, M. Karim, 2023, Gene Reports.

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

M. Islam, M. O. Ullah, Md. Ackas Ali, 2023, Journal of biomolecular structure & dynamics.

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

M. Islam, M. O. Ullah, M. Halim, 2020, Journal of biomolecular structure & dynamics.

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

M. Islam, M. O. Ullah, Md Siddik Alom, 2023, Journal of biomolecular structure & dynamics.

Elucidating the Structure, Dynamics, and Interaction of a Choline Chloride and Citric Acid Based Eutectic System by Spectroscopic and Molecular Modeling Investigations

Md. Ackas Ali, Md. Abdul Kaium, M. Halim, 2023, ACS omega.

Experimental and molecular dynamics studies of the effect of electrolytes on the interaction and energetics of the mixture of triton X-100 + metformin hydrochloride

Shahed Rana, Javed Masood Khan, M. Majibur Rahman, 2024, Journal of Molecular Liquids.

Molecular Modelling, Synthesis, and In-Vitro Assay to Identify Potential Antiviral Peptides Targeting the 3-Chymotrypsin-Like Protease of SARS-CoV-2

Md. Ackas Ali, P. Okoto, Mohammad Mehedi Hasan, 2023, International Journal of Peptide Research and Therapeutics.