Peer-reviewed research

Publications

Research spanning molecular dynamics, NMR prediction, protein interactions, computational chemistry, educational models, pharmaceutical delivery, and applications of machine learning across disciplines.

Publications
11Papers listed on this website
First-author publications
7Marked with a star below
H-index
6Google Scholar · All time
Citations
63Google Scholar · All time

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First-author publication

2026

Poultry Science

★ Comparative analysis of drop mass variance for manual and automatic delivery of large-scale eye drop poultry vaccine

2026

Biophysical Journal

Conformational flexibility and transient structure of the proline-rich domain in p53

2025

Biophysical Journal

Reduced Binding of Tau(210-240) to BIN1: Phosphate Charges Prefer n-Src/Distal Loops over RT-Src Loops

2025

Archiv der Pharmazie

The discovery of a new nonbile acid modulator of Takeda G protein-coupled receptor 5: An integrated computational approach

2024

Journal of Chemical Theory and Computation

★ Exploring the Role of Globular Domain Locations on an Intrinsically Disordered Region of p53: A Molecular Dynamics Investigation

2024

Journal of Chemical Theory and Computation

★ Exploring the Functional Landscape of the p53 Regulatory Domain: The Stabilizing Role of Post-Translational Modifications.

2024

Journal of Chemical Information and Modeling

Deeper Insight of the Conformational Ensemble of Intrinsically Disordered Proteins

2024

Journal of Chemical Information and Modeling

★ Streamlining NMR Chemical Shift Predictions for Intrinsically Disordered Proteins: Design of Ensembles with Dimensionality Reduction and Clustering

2024

Energies

★ Atomistic Details of Methyl Linoleate Pyrolysis: Direct Molecular Dynamics Simulation of Converting Biodiesel to Petroleum Products

2022

Physical Chemistry Chemical Physics

★ Improving IDP theoretical chemical shift accuracy and efficiency through a combined MD/ADMA/DFT and machine learning approach

2019

Concepts in Magnetic Resonance Part A

★ 3D printed NMR spectra: From 1D and 2D acquisition to 3D visualization