| scholarly article | Q13442814 |
| P8978 | DBLP publication ID | journals/nar/SunseriK16 |
| P356 | DOI | 10.1093/NAR/GKW287 |
| P3181 | OpenCitations bibliographic resource ID | 2225063 |
| P932 | PMC publication ID | 4987880 |
| P698 | PubMed publication ID | 27095195 |
| P50 | author | David Ryan Koes | Q87730078 |
| Jocelyn Sunseri | Q88259734 | ||
| P2093 | author name string | David Ryan Koes | |
| Jocelyn Sunseri | |||
| P2860 | cites work | Freely available conformer generation methods: how good are they? | Q51386173 |
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| Comparison of Shape-Matching and Docking as Virtual Screening Tools | Q56853909 | ||
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| AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading | Q27860652 | ||
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| istar: a web platform for large-scale protein-ligand docking | Q28306830 | ||
| ChEMBL: a large-scale bioactivity database for drug discovery | Q28315179 | ||
| Enabling large-scale design, synthesis and validation of small molecule protein-protein antagonists | Q28481449 | ||
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| Pharmer: efficient and exact pharmacophore search | Q33909006 | ||
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| Shape-based virtual screening with volumetric aligned molecular shapes | Q34076210 | ||
| Comparative analysis of pharmacophore screening tools | Q34286420 | ||
| 3Dmol.js: molecular visualization with WebGL. | Q35367250 | ||
| MTiOpenScreen: a web server for structure-based virtual screening. | Q35597960 | ||
| Indexing Volumetric Shapes with Matching and Packing | Q35737951 | ||
| ZINCPharmer: pharmacophore search of the ZINC database | Q36088378 | ||
| PharmaGist: a webserver for ligand-based pharmacophore detection | Q36749332 | ||
| Lessons learned in empirical scoring with smina from the CSAR 2011 benchmarking exercise | Q37053828 | ||
| Three-dimensional pharmacophore methods in drug discovery | Q37615315 | ||
| Pharmacophore modeling and applications in drug discovery: challenges and recent advances | Q37723606 | ||
| One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade | Q38119805 | ||
| Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking | Q42251037 | ||
| P275 | copyright license | Creative Commons Attribution 4.0 International | Q20007257 |
| P6216 | copyright status | copyrighted | Q50423863 |
| P433 | issue | W1 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | W442-8 | |
| P577 | publication date | 2016-07-08 | |
| P1433 | published in | Nucleic Acids Research | Q135122 |
| P1476 | title | Pharmit: interactive exploration of chemical space | |
| P478 | volume | 44 |
| Q92466112 | Exploring the Potentiality of Natural Products from Essential Oils as Inhibitors of Odorant-Binding Proteins: A Structure- and Ligand-Based Virtual Screening Approach To Find Novel Mosquito Repellents |
| Q47750928 | Function and structure-based screening of compounds, peptides and proteins to identify drug candidates. |
| Q90269266 | Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches |
| Q47279853 | Identification of new potential HIV-1 reverse transcriptase inhibitors by QSAR modeling and structure-based virtual screening |
| Q59771355 | Improved understanding of aqueous solubility modeling through topological data analysis |
| Q89152321 | Improving small molecule virtual screening strategies for the next generation of therapeutics |
| Q97520857 | Machine learning and AI-based approaches for bioactive ligand discovery and GPCR-ligand recognition |
| Q28598346 | Open source molecular modeling |
| Q90430431 | Pharmmaker: Pharmacophore modeling and hit identification based on druggability simulations |
| Q123351350 | Probing the molecular mechanisms of α-synuclein inhibitors unveils promising natural candidates through machine-learning QSAR, pharmacophore modeling, and molecular dynamics simulations |
| Q93263973 | Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study |
| Q90429055 | Rapid Discovery of Aspartyl Protease Inhibitors Using an Anchoring Approach |
| Q58596849 | ezCADD: A Rapid 2D/3D Visualization Enabled Web Modeling Environment for Democratizing Computer-Aided Drug Design |
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