| 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 | 64 | 2023 |
| 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 | 60 | 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 | 49 | 2018 |
| 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 | 34 | 2022 |
| MolPredictX: Online biological activity predictions by machine learning models MT Scotti, C Herrera-Acevedo, R Menezes, HJ Martin, E Muratov, ... Molecular Informatics, 2022 | 33 | 2022 |
| 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 | 26 | 2019 |
| 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 67 (8), 6508-6518, 2024 | 25 | 2024 |
| 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 | 23 | 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 (1), 5314187, 2020 | 17 | 2020 |
| 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 | 15 | 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 | 15 | 2019 |
| 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 | 14 | 2023 |
| STOPLIGHT: a hit scoring calculator J Wellnitz, HJ Martin, M Anwar Hossain, M Rath, C Fox, KI Popov, ... Journal of Chemical Information and Modeling 64 (11), 4387-4391, 2024 | 13 | 2024 |
| 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 | 12 | 2023 |
| Meta-analysis and review of in silico methods in drug discovery–part 1: technological evolution and trends from big data to chemical space A Uzundurukan, M Nelson, C Teske, MS Islam, E Mohamed, JV Christy, ... The Pharmacogenomics Journal 25 (3), 8, 2025 | 9 | 2025 |
| 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 | 9 | 2020 |
| A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents R Scheufen Tieghi, JT Moreira-Filho, HJ Martin, J Wellnitz, MC Otoch, ... Toxics 12 (11), 803, 2024 | 5 | 2024 |
| 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 | 5 | 2022 |
| External Validation of STopTox-Novel Alternative Method (NAM) for Acute Systemic and Topical Toxicity RS Tieghi, CC Melo-Filho, HJ Martin, JT Moreira-Filho, T LaPratt, D Allen, ... Environmental health perspectives, 2025 | 3 | 2025 |
| DeTox: an In-Silico Alternative to Animal Testing for Predicting Developmental Toxicity Potential. RS Tieghi, M Rath, JT Moreira-Filho, J Wellnitz, HJ Martin, K Gates, ... Environmental Health Perspectives, 2025 | 3 | 2025 |
Eugene MuratovUniversity of North CarolinaVerified email at email.unc.edu
