| scholarly article | Q13442814 |
| P2093 | author name string | Holger Gohlke | |
| Gerhard Klebe | |||
| P2860 | cites work | The Protein Data Bank: a computer-based archival file for macromolecular structures | Q27860989 |
| How does consensus scoring work for virtual library screening? An idealized computer experiment | Q31017163 | ||
| Structure based prediction of binding affinity of human immunodeficiency virus-1 protease inhibitors | Q45745385 | ||
| Prediction of Ligand−Receptor Binding Thermodynamics by Free Energy Force Field (FEFF) 3D-QSAR Analysis: Application to a Set of Peptidometic Renin Inhibitors | Q73582423 | ||
| P433 | issue | 19 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 4153-4170 | |
| P577 | publication date | 2002-09-01 | |
| P1433 | published in | Journal of Medicinal Chemistry | Q900316 |
| P1476 | title | DrugScore meets CoMFA: adaptation of fields for molecular comparison (AFMoC) or how to tailor knowledge-based pair-potentials to a particular protein | |
| P478 | volume | 45 |
| Q80547849 | A comprehensive analysis of the thermodynamic events involved in ligand-receptor binding using CoRIA and its variants |
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| Q33757755 | Binding affinity prediction with property-encoded shape distribution signatures |
| Q36970304 | Chalcone-based Selective Inhibitors of a C4 Plant Key Enzyme as Novel Potential Herbicides |
| Q37804907 | Classifying and scoring of molecules with the NGN: new datasets, significance tests, and generalization. |
| Q39540084 | Comparative Occupancy Analysis (CoOAn) - A Straightforward and Directly Applicable 3D-QSAR Formalism to Extract Molecular Features Obligatory for Designing Potent Leads. |
| Q79158020 | Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands |
| Q60657703 | Crystallographic Studies on α- and β-D-glucopyranosyl Formamide Analogues, Inhibitors of Glycogen Phosphorylase |
| Q44490741 | Development of biologically active compounds by combining 3D QSAR and structure-based design methods |
| Q26745421 | Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening Methodologies |
| Q31152113 | DrugScorePPI knowledge-based potentials used as scoring and objective function in protein-protein docking |
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| Q39116173 | Extrapolative prediction using physically-based QSAR. |
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| Q51604229 | From Hansch-Fujita Analysis to AFMoC: A Road to Structure-Based QSAR. |
| Q39124913 | In vitro and mouse in vivo characterization of the potent free fatty acid 1 receptor agonist TUG-469 |
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| Q35165255 | Ligand binding: functional site location, similarity and docking |
| Q47396241 | Ligand-supported Homology Modelling of Protein Binding-sites using Knowledge-based Potentials |
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| Q38553677 | Role of computer-aided drug design in modern drug discovery. |
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| Q33247681 | Virtual ligand screening: strategies, perspectives and limitations |
| Q90600677 | www.3d-qsar.com: a web portal that brings 3-D QSAR to all electronic devices-the Py-CoMFA web application as tool to build models from pre-aligned datasets |
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