Journal of Biomolecular Structure and Dynamics · 2023
High potential for biomass-degrading CAZymes revealed by pine forest soil metagenomics
Read summary →Cited 3×
Research & Publications by the StemSkills Lab Team
40+ peer-reviewed papers · cited 710+ times · across 33 journals
Peer-reviewed research in computational biology, molecular modeling, molecular docking, drug design, immunoinformatics and bioinformatics, authored by the StemSkills Lab team and their collaborators. Every paper is summarised in plain language for students, with a link to the original journal publication, the same methods we teach in our bootcamp.
Journal of Molecular Structure · 2022
Synthesis, quantum mechanical calculations, molecular docking, Hirshfeld surface analysis and ADMET estimation studies of (E)-3-(anthracene-10-yl)-1-(napthalen-1-yl)prop-2-en-1-one
Read summary →Cited 3×
Journal of Molecular Structure · 2022
Experimental spectra, electronic properties (liquid and gaseous phases) and activity against SARS-CoV-2 main protease of Fluphenazine dihydrochloride: DFT and MD simulations
Read summary →Cited 2×
ACS Applied Nano Materials · 2025
Enhanced Detection of DNA Nucleobases Using a C2O Monolayer Nanodevice: Insights from First-Principles Analysis
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Journal of Veterinary Science · 2023
Biochemical and structural comparisons of non-nucleoside reverse transcriptase inhibitors against feline and human immunodeficiency viruses
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NAR Genomics and Bioinformatics · 2025
Development of a vaccine construct against Pneumocystis jirovecii pneumonia using computational tools
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The Journal of Physical Chemistry A · 2023
Mg-Containing Zn3O3 Structures for Detection of CO2: A DFT Study on CHEM Effects of SERS and Electronic Properties
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Journal of Molecular Structure · 2026
Blue-light emitting cadmium-based 2D metal–organic frameworks derived from cis-5-norbornene-endo-2,3-dicarboxylic acid
Read summary →Cited 1×
ACS Applied Nano Materials · 2026
Sensing the Artificially Expanded Genetic Information System DNA Using Janus MoSSe Monolayers: A Density Functional Theory Investigation
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Glycoconjugate Journal · 2024
Aberrant glycosylation of secretory mucin from the oral cavity in tobacco consumers: a pilot study
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Results in Surfaces and Interfaces · 2025
Phytochemical evaluation and biosynthesis of Ocimum tenuiflorum based iron nanoclusters: An integrated experimental and DFT approach
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Polycyclic Aromatic Compounds · 2022
Spectroscopic, Docking and MD Simulation Analysis of an Adamantane Derivative with Solvation Effects in Different Solvents
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Current Bioactive Compounds · 2026
Advances in Green Synthesis of Iron Nanoparticles and Theranostic Potentials in Healthcare: A Review
Journal of Raman Spectroscopy · 2025
Investigating Water Sensing Capabilities of Ca‐ and Sr‐Containing (BaTiO3)3 Clusters: A Computational Study of Electronic Properties and Chemical Effects in Surface‐Enhanced Raman Spectroscopy
Current Microbiology · 2025
Unveiling the Genomic Landscape of Escherichia coli O1:K1:H7 ST59 in Non-complicated Urinary Infections from Colombia Through Whole-Genome Sequencing.
Protein Science · 2025
Increasing the fraction of correct solutions in ensembles of protein-protein docking models by an iterative consensus algorithm.
2023