Nicholas J. Paradis

To probe the binding of TMPyP4 to c-MYC G-quadruplex with in water and in imidazolium-based ionic liquids using spectroscopy coupled with molecular dynamics simulations

Chun Wu, T. Vaden, Phillip M. Lakernick, 2022, Journal of Molecular Liquids.

L-shaped distribution of the relative substitution rate (c/μ) observed for SARS-COV-2's genome, inconsistent with the selectionist theory, the neutral theory and the nearly neutral theory but a near-neutral balanced selection theory: Implication on “neutralist-selectionist” debate

Phillip M. Lakernick, Mariya Hryb, Nicholas J. Paradis, 2023, bioRxiv.

To probe the binding pathway of a selective compound (D089-0563) to c-MYC Pu24 G-quadruplex using free ligand binding simulations and Markov state model analysis.

Chun Wu, Brian Chen, Griffin Fountain, 2020, Physical chemistry chemical physics : PCCP.

Effects of Ionic Liquids on Laccase from Trametes versicolor

Gregory A. Caputo, T. Vaden, Ch'un-Min Wu, 2021, Biophysica.

Effects of Ionic Liquids on Metalloproteins

Chun Wu, Gregory A. Caputo, T. Vaden, 2021, Molecules.

Mechanistic insight on the remdesivir binding to RNA-Dependent RNA polymerase (RdRp) of SARS-cov-2

Chun Wu, Nicholas Paradis, M. Arba, 2020, Computers in Biology and Medicine.

Unraveling the binding mechanism of the active form of Remdesivir to RdRp of SARS-CoV-2 and designing new potential analogues: Insights from molecular dynamics simulations

Chun Wu, Nicholas Paradis, M. Arba, 2022, Chemical Physics Letters.

Thermodynamic destabilization of azurin by four different tetramethylguanidinium amino acid ionic liquids.

Chun Wu, Gregory A. Caputo, T. Vaden, 2021, International journal of biological macromolecules.

Phenolic compounds as potential adenosine deaminase inhibitors: molecular docking and dynamics simulation coupled with MM-GBSA calculations

G. Zengin, A. Uba, Chun Wu, 2023, Amino acids.

Appraisals on the chemical characterization and biological potentials of Ranunculus constantinopolitanus extracts using chromatographic, computational, and molecular network approaches.

R. Venanzoni, G. Sagratini, P. Angelini, 2023, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

Novel Inhibitors to MmpL3 Transporter of Mycobacterium tuberculosis by Structure-Based High-Throughput Virtual Screening and Molecular Dynamics Simulations

Candice Bui-Linh, Nicholas J. Paradis, Chun Wu, 2024, ACS omega.

Probing the Activation Mechanisms of Agonist DPI-287 to Delta-Opioid Receptor and Novel Agonists Using Ensemble-Based Virtual Screening with Molecular Dynamics Simulations

Emily Dean, Chun Wu, Nicholas J. Paradis, 2023, ACS omega.