Chun Wu

United States

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Articles (18)

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2024

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2024

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2023

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2023

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2023

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2023

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2023

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2022

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2022

Collaborators (2)

Thomas M. Keck

Associate Professor, Dept. Chair

Rowan University

UNITED STATES

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Comfort Boateng

Assistant Professor

UNITED STATES

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Chun Wu

Research Interests

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Articles (18)

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

Computational analysis of natural compounds as potential phosphodiesterase type 5A inhibitors

Enhanced detection and molecular modeling of adaptive mutations in SARS-CoV-2 coding and non-coding regions using the c/µ test

Binding Mechanism of the Active Form of Molnupiravir to RdRp of SARS-CoV-2 and Designing Potential Analogues: Insights from Molecular Dynamics Simulations

Oncogenic and telomeric G-quadruplexes: Targets for porphyrin-triphenylphosphonium conjugates

Elucidating the stabilization mechanism of a K+-depleted c-MYC DNA G-quadruplex in hydrophobic imidazolium-based ionic liquids using spectroscopy coupled with molecular dynamics simulations

Discovery of novel inhibitors of histone deacetylase 6: Structure-based virtual screening, molecular dynamics simulation, enzyme inhibition and cell viability assays

Computational study of binding of oseltamivir to neuraminidase mutants of influenza A virus

Pharmacology and Therapeutic Potential of Benzothiazole Analogues for Cocaine Use Disorder

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

To probe the activation mechanism of the Delta opioid receptor by an agonist ADL5859 started from inactive conformation using molecular dynamic simulations

Computational analysis of drug resistance of taxanes bound to human β-tubulin mutant (D26E)

Inhibition Mechanism of Anti-TB Drug SQ109: Allosteric Inhibition of TMM Translocation of Mycobacterium Tuberculosis MmpL3 Transporter

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

Computational insights into the binding of pimodivir to the mutated PB2 subunit of the influenza A virus

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

Discovering new potential inhibitors to SARS-CoV-2 RNA dependent RNA polymerase (RdRp) using high throughput virtual screening and molecular dynamics simulations

Binding of a positive allosteric modulator CDPPB to metabotropic glutamate receptor type 5 (mGluR5) probed by all-atom molecular dynamics simulations

Collaborators (2)

Thomas M. Keck

Comfort Boateng

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