Chun Wu
Orcid: 0000-0002-0176-3873Affiliations:
- Rowan University, Glassboro, NJ, USA
According to our database1,
Chun Wu
authored at least 20 papers
between 2003 and 2024.
Collaborative distances:
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Bibliography
2024
Computational analysis of natural compounds as potential phosphodiesterase type 5A inhibitors.
Comput. Biol. Chem., 2024
2023
Inhibition Mechanism of Anti-TB Drug SQ109: Allosteric Inhibition of TMM Translocation of Mycobacterium Tuberculosis MmpL3 Transporter.
J. Chem. Inf. Model., August, 2023
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.
Comput. Biol. Medicine, February, 2023
2022
Novel inhibitors to ADP ribose phosphatase of SARS-CoV-2 identified by structure-based high throughput virtual screening and molecular dynamics simulations.
Comput. Biol. Medicine, 2022
Computational insights into differential interaction of mammalian angiotensin-converting enzyme 2 with the SARS-CoV-2 spike receptor binding domain.
Comput. Biol. Medicine, 2022
Identification of potential antagonists of CRF1R for possible treatment of stress and anxiety neuro-disorders using structure-based virtual screening and molecular dynamics simulation.
Comput. Biol. Chem., 2022
Elucidation of partial activation of cannabinoid receptor type 2 and identification of potential partial agonists: Molecular dynamics simulation and structure-based virtual screening.
Comput. Biol. Chem., 2022
2021
Drug repurposing against SARS-CoV-2 receptor binding domain using ensemble-based virtual screening and molecular dynamics simulations.
Comput. Biol. Medicine, 2021
Mechanistic insight on the remdesivir binding to RNA-Dependent RNA polymerase (RdRp) of SARS-cov-2.
Comput. Biol. Medicine, 2021
2020
Binding Interactions of Ergotamine and Dihydroergotamine to 5-Hydroxytryptamine Receptor 1B (5-HT1b) Using Molecular Dynamics Simulations and Dynamic Network Analysis.
J. Chem. Inf. Model., 2020
Molecular Dynamics Study on the Binding of an Anticancer DNA G-Quadruplex Stabilizer, CX-5461, to Human Telomeric, c-KIT1, and c-Myc G-Quadruplexes and a DNA Duplex.
J. Chem. Inf. Model., 2020
GDP Release from the Open Conformation of Gα Requires Allosteric Signaling from the Agonist-Bound Human β2 Adrenergic Receptor.
J. Chem. Inf. Model., 2020
2017
Probing the Binding Pathway of BRACO19 to a Parallel-Stranded Human Telomeric G-Quadruplex Using Molecular Dynamics Binding Simulation with AMBER DNA OL15 and Ligand GAFF2 Force Fields.
J. Chem. Inf. Model., November, 2017
2016
Binding of Telomestatin to a Telomeric G-Quadruplex DNA Probed by All-Atom Molecular Dynamics Simulations with Explicit Solvent.
J. Chem. Inf. Model., 2016
Computational Study of Anticancer Drug Resistance Caused by 10 Topisomerase I Mutations, Including 7 Camptothecin Analogs and Lucanthone.
J. Chem. Inf. Model., 2016
2013
Structural Similarities and Differences between Amyloidogenic and Non-Amyloidogenic Islet Amyloid Polypeptide (IAPP) Sequences and Implications for the Dual Physiological and Pathological Activities of These Peptides.
PLoS Comput. Biol., 2013
2010
On the Origins of the Weak Folding Cooperativity of a Designed ββα Ultrafast Protein FSD-1.
PLoS Comput. Biol., 2010
Molecular Structures of Quiescently Grown and Brain-Derived Polymorphic Fibrils of the Alzheimer Amyloid Aβ<sub>9-40</sub> Peptide: A Comparison to Agitated Fibrils.
PLoS Comput. Biol., 2010
2006
Strike a balance: Optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides.
J. Comput. Chem., 2006
2003
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.
J. Comput. Chem., 2003