About NucleoPhi
Scientific Consulting in Molecular Modeling & Advanced Data Analysis
NucleoPhi applies physics-based molecular simulation, quantum chemistry, and data-driven modeling to solve complex problems, delivering reproducible, decision-ready insights that accelerate research and innovation.
Team Members
Bridging Boundaries: Pioneers in Scientific Computation
We integrate molecular dynamics, quantum chemistry, and advanced data analysis to provide reproducible, decision-ready solutions across biotechnology, drug discovery, and advanced materials.
Mechanism Decoded: High-Impact Molecular Insights
Our rigorously validated research integrates cutting-edge simulation (MD, QM) with experimental data (Spectroscopy, MS) to unlock atomic-level mechanisms, thereby accelerating research and delivering decision-ready solutions in drug and material design.
Structural heterogeneity in the pre-amyloid oligomers of β2-microglobulin
A Generalized Framework for Developing Dihedral Torsion Energy Terms in Nucleic Acids Force Fields
Free Volume Element Sizes and Dynamics in Polystyrene and Poly(methyl methacrylate) Measured with Ultrafast Infrared Spectroscopy
Modulation of Amyloid-β42 Conformation by Small Molecules Through Nonspecific Binding
Revealing the Solvation Structure and Dynamics of Carbonate Electrolytes in Lithium-Ion Batteries by Two-Dimensional Infrared Spectrum Modeling
Allocrite sensing and binding by the breast cancer resistance protein (ABCG2) and P-glycoprotein (ABCB1)
Unidirectional Transport Mechanism in an ATP Dependent Exporter
SDHA gain-of-function engages inflammatory mitochondrial retrograde signaling via KEAP1–Nrf2
Mechanistic basis of the dynamic response of TWIK1 ionic selectivity to pH
Autoimmunity and immunodeficiency associated with monoallelic LIG4 mutations via haploinsufficiency
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