The Journal of Physical Chemistry B · 2015
Structural and Energetic Impact of Non-Natural 7-Deaza-8-Azaadenine and Its 7-Substituted Derivatives on H-Bonding Potential with Uracil in RNA Molecules.
Read summary →Cited 19×
Research & Publications by the StemSkills Lab Team
70+ peer-reviewed papers · cited 1,390+ times · across 38 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.
Chemical Communications · 2015
Double zipper helical assembly of deoxyoligonucleotides: mutual templating and chiral imprinting to form hybrid DNA ensembles
Read summary →Cited 18×
Computational and Structural Biotechnology Journal · 2021
Replacing Thymine with a Strongly Pairing Fifth Base: a Combined Quantum Mechanics and Molecular Dynamics Study
Read summary →Cited 18×
Biochemistry · 2016
Urea Mimics Nucleobases by Preserving the Helical Integrity of B-DNA Duplexes via Hydrogen Bonding and Stacking Interactions
Read summary →Cited 17×
Nucleic Acids Research · 2022
Occurrence and stability of anion–π interactions between phosphate and nucleobases in functional RNA molecules
Read summary →Cited 16×
The Journal of Physical Chemistry B · 2014
Atomistic Investigation of the Effect of Incremental Modification of Deoxyribose Sugars by Locked Nucleic Acid (β-d-LNA and α-l-LNA) Moieties on the Structures and Thermodynamics of DNA–RNA Hybrid Duplexes
Read summary →Cited 16×
Physical Chemistry Chemical Physics · 2018
Energetics and dynamics of the non-natural fluorescent 4AP:DAP base pair.
Read summary →Cited 15×
The Journal of Physical Chemistry B · 2010
Molecular Simulations on the Thermal Stabilization of DNA by Hyperthermophilic Chromatin Protein Sac7d, and Associated Conformational Transitions
Read summary →Cited 14×
Bioinformatics · 2025
COCOMAPS 2.0: a web server for identifying, analyzing, and visualizing atomic interactions in protein–protein and protein–nucleic acid complexes
Read summary →Cited 13×
ACS Applied Materials & Interfaces · 2024
Detecting Hachimoji DNA: An Eight-Building-Block Genetic System with MoS2 and Janus MoSSe Monolayers
Read summary →Cited 13×
Results in Surfaces and Interfaces · 2023
Amino acid ionic liquids as efficient catalysts for CO2 capture: A combined static and dynamic approach
Read summary →Cited 11×
Biochemistry · 2016
Ligand-Induced Stabilization of a Duplex-like Architecture Is Crucial for the Switching Mechanism of the SAM-III Riboswitch
Read summary →Cited 11×
ACS Omega · 2024
Sensing Hachimoji DNA Bases with Janus MoSH Monolayer Nanodevice: Insights from Density Functional Theory (DFT) and Non-Equilibrium Green’s Function Analysis
Read summary →Cited 11×
Journal of Chemical Information and Modeling · 2021
Mechanistic Insights into SARS-CoV-2 Main Protease Inhibition Reveals Hotspot Residues
Read summary →Cited 10×
ChemBioChem · 2019
Structural and Energetic Impact of Non‐natural 7‐Deaza‐8‐azaguanine, 7‐Deaza‐8‐azaisoguanine, and Their 7‐Substituted Derivatives on Hydrogen‐Bond Pairing with Cytosine and Isocytosine
Read summary →Cited 9×
Physical Chemistry Chemical Physics · 2024
Unveiling structural and energetic characterization of the emissive RNA alphabet anchored in the methylthieno[3,4-d]pyrimidine heterocycle core
Read summary →Cited 7×
The Journal of Physical Chemistry B · 2022
Effects of Conformational Constraint on Peptide Solubility Limits
Read summary →Cited 7×
Journal of Chemical Sciences · 2015
Atomistic details of the molecular recognition of DNA-RNA hybrid duplex by ribonuclease H enzyme
Read summary →Cited 6×
Journal of Cellular Biochemistry · 2023
Toward α‐1,3/4 fucosyltransferases targeted drug discovery: In silico uncovering of promising natural inhibitors of fucosyltransferase 6
Read summary →Cited 5×
Frontiers in Veterinary Science · 2025
Feline immunodeficiency virus: current insights into pathogenesis, clinical impact, and advances in treatment and vaccine development.
Read summary →Cited 5×
Journal of Biomolecular Structure and Dynamics · 2024
T cell epitope based vaccine design while targeting outer capsid proteins of rotavirus strains infecting neonates: an immunoinformatics approach
Read summary →Cited 4×
Journal of Molecular Graphics and Modelling · 2015
Inclusion of methoxy groups inverts the thermodynamic stabilities of DNA–RNA hybrid duplexes: A molecular dynamics simulation study
Read summary →Cited 4×
ACS Applied Nano Materials · 2025
Enhanced Detection of DNA Nucleobases Using a C2O Monolayer Nanodevice: Insights from First-Principles Analysis
Read summary →Cited 2×
NAR Genomics and Bioinformatics · 2025
Development of a vaccine construct against Pneumocystis jirovecii pneumonia using computational tools
Read summary →Cited 2×
Journal of Biomolecular Structure and Dynamics · 2023
High potential for biomass-degrading CAZymes revealed by pine forest soil metagenomics
Read summary →Cited 2×
2015
Structural and energetic impact of non-natural 7-deaza-8-azaadenine and its 7-substituted derivatives on H-bond pairing potential with uracil in RNA molecules
2019
Enzymatic Formation of an Artificial Base Pair Using a Modified Adenine Nucleoside Triphosphate
Biophysical Journal · 2017
Resolving Structural Dynamics and DNA-Binding of APOBEC3G Protein
ACS Applied Nano Materials · 2026
Sensing the Artificially Expanded Genetic Information System DNA Using Janus MoSSe Monolayers: A Density Functional Theory Investigation
2018