| review article | Q7318358 |
| scholarly article | Q13442814 |
| P356 | DOI | 10.1016/S1367-5931(00)00217-9 |
| P698 | PubMed publication ID | 11470599 |
| P2093 | author name string | Abagyan R | |
| Totrov M | |||
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| The protein folding problem: finding a few minimums in a near infinite space. | Q52371905 | ||
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| GenStar: a method for de novo drug design. | Q52401172 | ||
| Optimal protocol and trajectory visualization for conformational searches of peptides and proteins | Q52421109 | ||
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| The discovery of steroids and other novel FKBP inhibitors using a molecular docking program | Q57003698 | ||
| Successful Virtual Screening of a Chemical Database for Farnesyltransferase Inhibitor Leads | Q58289960 | ||
| Structure-based discovery and in-parallel optimization of novelcompetitive inhibitors of thymidylate synthase | Q60195800 | ||
| CONCERTS: dynamic connection of fragments as an approach to de novo ligand design | Q71121696 | ||
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| A method for including protein flexibility in protein-ligand docking: improving tools for database mining and virtual screening | Q73047696 | ||
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| P433 | issue | 4 | |
| P304 | page(s) | 375-382 | |
| P577 | publication date | 2001-08-01 | |
| P1433 | published in | Current Opinion in Chemical Biology | Q15758415 |
| P1476 | title | High-throughput docking for lead generation | |
| P478 | volume | 5 |
| Q30357121 | A combined ligand-based and target-based drug design approach for G-protein coupled receptors: application to salvinorin A, a selective kappa opioid receptor agonist. |
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| Q35638994 | All-Atom Internal Coordinate Mechanics (ICM) Force Field for Hexopyranoses and Glycoproteins |
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| Q57002632 | Bioinformatics of Nuclear Receptors |
| Q58719254 | Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview |
| Q28484330 | Can the energy gap in the protein-ligand binding energy landscape be used as a descriptor in virtual ligand screening? |
| Q28260664 | Chemogenomics: an emerging strategy for rapid target and drug discovery |
| Q34604753 | Complexity and simplicity of ligand-macromolecule interactions: the energy landscape perspective |
| Q36633020 | Computational molecular modeling for evaluating the toxicity of environmental chemicals: prioritizing bioassay requirements |
| Q30361594 | Computational prediction of atomic structures of helical membrane proteins aided by EM maps. |
| Q34519388 | Computer-aided drug-discovery techniques that account for receptor flexibility |
| Q33954211 | Computer-aided identification of Trypanosoma brucei uridine diphosphate galactose 4'-epimerase inhibitors: toward the development of novel therapies for African sleeping sickness |
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| Q35921636 | Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor V |
| Q42109476 | Development of a new physics-based internal coordinate mechanics force field and its application to protein loop modeling |
| Q48581596 | Discovering Novel Alternaria solani Succinate Dehydrogenase Inhibitors by in Silico Modeling and Virtual Screening Strategies to Combat Early Blight. |
| Q34582707 | Discovery of GPCR ligands for probing signal transduction pathways |
| Q30940049 | Discovery of diverse thyroid hormone receptor antagonists by high-throughput docking |
| Q41735613 | Discovery of novel inhibitors targeting enoyl-acyl carrier protein reductase in Plasmodium falciparum by structure-based virtual screening |
| Q33228956 | Druggability of SCF ubiquitin ligase-protein interfaces |
| Q28280176 | Enrichment of ligands with molecular dockings and subsequent characterization for human alcohol dehydrogenase 3 |
| Q41815648 | Evaluation of different virtual screening programs for docking in a charged binding pocket |
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| Q44109232 | Flexible docking under pharmacophore type constraints |
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| Q35914146 | Frog: a FRee Online druG 3D conformation generator. |
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| Q37345640 | How a single-point mutation in horseradish peroxidase markedly enhances enantioselectivity |
| Q46399382 | ICFF: a new method to incorporate implicit flexibility into an internal coordinate force field |
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| Q33584442 | Identification of new classes of ricin toxin inhibitors by virtual screening |
| Q34052442 | Identification of novel inhibitors of dipeptidylcarboxypeptidase of Leishmania donovani via ligand-based virtual screening and biological evaluation |
| Q47604123 | Identifying the binding mode of a molecular scaffold. |
| Q41945251 | Importance of accurate charges in molecular docking: quantum mechanical/molecular mechanical (QM/MM) approach |
| Q34185134 | In silico screening of quadruplex-binding ligands |
| Q64078667 | Informatics and Computational Methods in Natural Product Drug Discovery: A Review and Perspectives |
| Q34754631 | Lead discovery using molecular docking |
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| Q35162677 | Making virtual screening a reality |
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| Q53685295 | Novel Natural Products for Healthy Ageing from the Mediterranean Diet and Food Plants of Other Global Sources-The MediHealth Project. |
| Q34020313 | Novel human mPGES-1 inhibitors identified through structure-based virtual screening |
| Q36939959 | Novel inhibitors of checkpoint kinase 1. |
| Q40533405 | Novel technologies for virtual screening |
| Q33195402 | Novel therapeutic targets in Helicobacter pylori |
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| Q34625066 | Optimization of molecular docking scores with support vector rank regression |
| Q38637309 | PDTCM: a systems pharmacology platform of traditional Chinese medicine for psoriasis |
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