Chun Wu

20 papers Journal 20
YearRankTypeTitle / Venue / Authors
2024 J jnl
Computational analysis of natural compounds as potential phosphodiesterase type 5A inhibitors.
Comput. Biol. Chem.
Abdullahi Ibrahim Uba, Nicholas Joseph Paradis, Chun Wu, Gokhan Zengin
2023 J jnl
Inhibition Mechanism of Anti-TB Drug SQ109: Allosteric Inhibition of TMM Translocation of Mycobacterium Tuberculosis MmpL3 Transporter.
J. Chem. Inf. Model.
Justin Carbone, Nicholas Joseph Paradis, Lucas Bennet, Mark C. Alesiani, Katherine R. Hausman, Chun Wu
2023 J jnl
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
Chun Wu, Nicholas Joseph Paradis, Phillip M. Lakernick, Mariya Hryb
2022 J jnl
Computational insights into differential interaction of mammalian angiotensin-converting enzyme 2 with the SARS-CoV-2 spike receptor binding domain.
Comput. Biol. Medicine
Cecylia S. Lupala, Vikash Kumar, Xiao-dong Su, Chun Wu, Haiguang Liu
2022 J jnl
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.
Abdullahi Ibrahim Uba, Harika Aluwala, Haiguang Liu, Chun Wu
2022 J jnl
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.
Abdullahi Ibrahim Uba, Chun Wu
2022 J jnl
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
Dhrumi C. Patel, Katherine R. Hausman, Muhammad Arba, Annie Tran, Phillip M. Lakernick, Chun Wu
2021 J jnl
Drug repurposing against SARS-CoV-2 receptor binding domain using ensemble-based virtual screening and molecular dynamics simulations.
Comput. Biol. Medicine
Vikash Kumar, Haiguang Liu, Chun Wu
2021 J jnl
Mechanistic insight on the remdesivir binding to RNA-Dependent RNA polymerase (RdRp) of SARS-cov-2.
Comput. Biol. Medicine
Muhammad Arba, Setyanto Tri Wahyudi, Dylan J. Brunt, Nicholas Joseph Paradis, Chun Wu
2020 J jnl
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.
Holli-Joi Sullivan, Amanda Tursi, Kelly Moore, Alexandra Campbell, Cecilia Floyd, Chun Wu
2020 J jnl
GDP Release from the Open Conformation of Gα Requires Allosteric Signaling from the Agonist-Bound Human β2 Adrenergic Receptor.
J. Chem. Inf. Model.
Vikash Kumar, Hannah Hoag, Safaa Sader, Nicolas Scorese, Haiguang Liu, Chun Wu
2020 J jnl
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.
Holli-Joi Sullivan, Brian Chen, Chun Wu
2017 J jnl
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.
Babitha Machireddy, Gurmannat Kalra, Subash Jonnalagadda, Kandalam Ramanujachary, Chun Wu
2016 J jnl
Binding of Telomestatin to a Telomeric G-Quadruplex DNA Probed by All-Atom Molecular Dynamics Simulations with Explicit Solvent.
J. Chem. Inf. Model.
Kelly Mulholland, Chun Wu
2016 J jnl
Computational Study of Anticancer Drug Resistance Caused by 10 Topisomerase I Mutations, Including 7 Camptothecin Analogs and Lucanthone.
J. Chem. Inf. Model.
Kelly Mulholland, Chun Wu
2013 J jnl
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.
Chun Wu, Joan-Emma Shea
2010 J jnl
Molecular Structures of Quiescently Grown and Brain-Derived Polymorphic Fibrils of the Alzheimer Amyloid Aβ
PLoS Comput. Biol.
Chun Wu, Michael T. Bowers, Joan-Emma Shea
2010 J jnl
On the Origins of the Weak Folding Cooperativity of a Designed ββα Ultrafast Protein FSD-1.
PLoS Comput. Biol.
Chun Wu, Joan-Emma Shea
2006 J jnl
Strike a balance: Optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides.
J. Comput. Chem.
Zhi-Xiang Wang, Wei Zhang, Chun Wu, Hongxing Lei, Piotr Cieplak, Yong Duan
2003 J jnl
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.
J. Comput. Chem.
Yong Duan, Chun Wu, Shibasish Chowdhury, Mathew C. Lee, Guoming Xiong, Wei Zhang, Rong Yang, Piotr Cieplak, Ray Luo, Tai-Sung Lee, James W. Caldwell, Junmei Wang, Peter A. Kollman