| Binding of BRACO19 to a telomeric G-quadruplex DNA probed by all-atom molecular dynamics simulations with explicit solvent B Machireddy, HJ Sullivan, C Wu Molecules 24 (6), 1010, 2019 | 50 | 2019 |
| Binding of Telomestatin, TMPyP4, BSU6037, and BRACO19 to a Telomeric G-Quadruplex–Duplex Hybrid Probed by All-Atom Molecular Dynamics Simulations with Explicit Solvent HJ Sullivan, C Readmond, C Radicella, V Persad, TJ Fasano, C Wu ACS omega 3 (11), 14788-14806, 2018 | 38 | 2018 |
| Three-dimensional structure of RNA monomeric G-quadruplex containing ALS and FTD related G4C2 repeat and its binding with TMPyP4 probed by homology modeling based on … K Mulholland, HJ Sullivan, J Garner, J Cai, B Chen, C Wu ACS chemical neuroscience 11 (1), 57-75, 2019 | 19 | 2019 |
| Conserved coronavirus proteins as targets of broad-spectrum antivirals CC Melo-Filho, T Bobrowski, HJ Martin, Z Sessions, KI Popov, ... Antiviral Research 204, 105360, 2022 | 18 | 2022 |
| 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 HJ Sullivan, B Chen, C Wu Journal of chemical information and modeling 60 (10), 5203-5224, 2020 | 15 | 2020 |
| To probe full and partial activation of human peroxisome proliferator-activated receptors by pan-agonist chiglitazar using molecular dynamics simulations HJ Sullivan, X Wang, S Nogle, S Liao, C Wu PPAR research 2020, 2020 | 12 | 2020 |
| Molecular dynamics simulation of biased agonists at the dopamine D2 receptor suggests the mechanism of receptor functional selectivity D Montgomery, A Campbell, HJ Sullivan, C Wu Journal of Biomolecular Structure and Dynamics 37 (12), 3206-3225, 2019 | 12 | 2019 |
| MolPredictX: Online biological activity predictions by machine learning models MT Scotti, C Herrera-Acevedo, R Menezes, HJ Martin, E Muratov, ... Molecular Informatics, 2022 | 11 | 2022 |
| Binding Interactions of Ergotamine and Dihydroergotamine to 5-Hydroxytryptamine Receptor 1B (5-HT1b) Using Molecular Dynamics Simulations and Dynamic … HJ Sullivan, A Tursi, K Moore, A Campbell, C Floyd, C Wu Journal of chemical information and modeling 60 (3), 1749-1765, 2020 | 9 | 2020 |
| Targeted protein degradation: advances, challenges, and prospects for computational methods B Mostofian, HJ Martin, A Razavi, S Patel, B Allen, W Sherman, ... Journal of Chemical Information and Modeling 63 (17), 5408-5432, 2023 | 7 | 2023 |
| 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 B Chen, G Fountain, HJ Sullivan, N Paradis, C Wu Physical Chemistry Chemical Physics 22 (39), 22567-22583, 2020 | 7 | 2020 |
| Praemonitus praemunitus: can we forecast and prepare for future viral disease outbreaks? Z Sessions, T Bobrowski, HJ Martin, JMT Beasley, A Kothari, T Phares, ... FEMS Microbiology Reviews, fuad048, 2023 | 4* | 2023 |
| Small Molecule Antiviral Compound Collection (SMACC): a database to support the discovery of broad-spectrum antiviral drug molecules. AT Holli-Joi Martin, Cleber Melo-Filho, Daniel Korn, Rich Eastman, Ganesha ... bioRxiv, https://doi.org/10.1101/2022.07.09.49939, 2022 | 2 | 2022 |
| Small molecule antiviral compound collection (SMACC): A comprehensive, highly curated database to support the discovery of broad-spectrum antiviral drug molecules HJ Martin, CC Melo-Filho, D Korn, RT Eastman, G Rai, A Simeonov, ... Antiviral Research 217, 105620, 2023 | 1 | 2023 |
| Sequence and structure conservation analysis of the key coronavirus proteins supports the feasibility of discovering broad-spectrum antiviral medications. C Melo-Filho, T Bobrowski, HJ Martin, Z Sessions, K Popov, N Moorman, ... | 1 | 2022 |
| Developing New Dopamine D2 Receptor Agonists and Partial Agonists for Parkinson’s Disease and Schizophrenia TM Keck, C Nguyen, E Kurtyan, B Stephanie, R Crowthers, J Tharakan, ... The FASEB Journal 34 (S1), 1-1, 2020 | 1 | 2020 |
| PregPred: an In-Silico Alternative to Animal Testing for Predicting Developmental Toxicity Potential R Tieghi, M Rath, J Moreira-Filho, J Wellnitz, HJ Martin, K Gates, ... | | 2024 |
| Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles M Rath, J Wellnitz, HJ Martin, C Melo-Filho, JE Hochuli, GM Silva, ... Journal of Medicinal Chemistry, 2024 | | 2024 |
| STOPLIGHT: A Hit Scoring Calculator J Wellnitz, HJ Martin, M Hossain, M Rath, C Fox, K Popov, T Willson, ... | | 2023 |
| Novel Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web-Tool for Triaging Compounds with Undesired PK Profiles M Rath, J Wellnitz, HJ Martin, C Melo-Filho, J Hochuli, GM da Silva, ... | | 2023 |
Chun WuAssociate Professor, Rowan UniversityVerified email at rowan.edu
