Lu Wang

Associate Professor

Rutgers University

United States

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Lu Wang is an Associate Professor at Rutgers, The State University of New Jersey, United States. His research areas encompass quantum mechanical behavior in supramolecular structures, machine learning applications in vibrational spectroscopy, and the intricate interactions involving nucleic acids and proteins. Recent articles highlight his work on hydrogen bonds, infrared spectroscopy, and computational modeling, contributing valuable insights into molecular interactions and binding dynamics.

Articles (17)

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2025

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UNITED STATES

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Jianyuan Zhang

Assistant Professor

Rutgers University

UNITED STATES

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Lu Wang

Research Interests

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Articles (17)

Quantum Mechanical Behavior of Hydrogen Bonds Enables Supramolecular Structure in a Weak Acid–Base Monoprotic Complex

pK<sub>a</sub> Matching Enables Quantum Proton Delocalization in Acid-1-Methylimidazole Binary Mixtures

Adsorption of Flavonoids in a Transcriptional Regulator TtgR: Relative Binding Free Energies and Intermolecular Interactions

Unraveling the Structure-Spectrum Relationship of Yeast Phenylalanine Transfer RNA: Insights from Theoretical Modeling of Infrared Spectroscopy

Unexpected Intermolecular C–H···O Hydrogen Bonds and 1H NMR Chemical Shifts in a Key Linker for Fluorine-18 Labeling of Dimeric Drugs

Modeling Infrared Spectroscopy of Nucleic Acids: Integrating Vibrational Non-Condon Effects with Machine Learning Schemes

Measuring the Enthalpy of an Individual Hydrogen Bond in a DNA Duplex with Nucleobase Isotope Editing and Variable-Temperature Infrared Spectroscopy

Modeling the Infrared Spectroscopy of Oligonucleotides with 13C Isotope Labels

Chemical features and machine learning assisted predictions of protein-ligand short hydrogen bonds

Synthesis of [60]- and [70]Fullerene-Fused Tetrahydroquinoxaline Derivatives by Oxidative [4 + 2] Cycloaddition with Unusual Reactivity and Regioselectivity

Concentration and Surface Chemistry Dependent Analyte Orientation on Nanoparticle Surfaces

Atomically precise binding conformations of adenine and its variants on gold using single molecule conductance signatures

Computational Characterization of Adsorptive Desulfurization Using Metal–Organic Frameworks

Quantum mechanical effects in acid–base chemistry

Affordable Ab Initio Path Integral for Thermodynamic Properties via Molecular Dynamics Simulations Using Semiempirical Reference Potential

Rapid SERS Quantification of Trace Fentanyl Laced in Recreational Drugs with a Portable Raman Module

Quantum effects and 1H NMR chemical shifts of a bifurcated short hydrogen bond

Collaborators (7)

Sylvie Rangan

Laura Fabris

Junfeng wang

Maria Kamenetska

Darrin York

Daniel G. Kuroda

Jianyuan Zhang

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