| scholarly article | Q13442814 |
| P356 | DOI | 10.1007/S00894-009-0519-9 |
| P2888 | exact match | https://scigraph.springernature.com/pub.10.1007/s00894-009-0519-9 |
| P698 | PubMed publication ID | 19466613 |
| P5875 | ResearchGate publication ID | 26238174 |
| P50 | author | Piet Herdewijn | Q55127499 |
| P2093 | author name string | Tong Li | |
| Matheus Froeyen | |||
| P2860 | cites work | The Protein Data Bank | Q24515306 |
| Selection and Characterization of Replicon Variants Dually Resistant to Thumb- and Palm-Binding Nonnucleoside Polymerase Inhibitors of the Hepatitis C Virus | Q27473236 | ||
| Resistance Profile of a Hepatitis C Virus RNA-Dependent RNA Polymerase Benzothiadiazine Inhibitor | Q27486873 | ||
| Crystal structure of the RNA-dependent RNA polymerase from hepatitis C virus reveals a fully encircled active site | Q27619818 | ||
| Optimization of novel acyl pyrrolidine inhibitors of hepatitis C virus RNA-dependent RNA polymerase leading to a development candidate | Q27643711 | ||
| Identification of anthranilic acid derivatives as a novel class of allosteric inhibitors of hepatitis C NS5B polymerase | Q27644326 | ||
| UCSF Chimera--a visualization system for exploratory research and analysis | Q27860666 | ||
| Satisfying hydrogen bonding potential in proteins | Q27860940 | ||
| LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions | Q27861128 | ||
| The design of drugs for HIV and HCV | Q28259321 | ||
| A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations | Q29547632 | ||
| Development and testing of a general amber force field | Q29547642 | ||
| A semiempirical free energy force field with charge-based desolvation | Q29614316 | ||
| Python: a programming language for software integration and development | Q29614317 | ||
| Docking ligands into flexible and solvated macromolecules. 2. Development and application of fitted 1.5 to the virtual screening of potential HCV polymerase inhibitors | Q33323904 | ||
| The way forward in HCV treatment--finding the right path | Q34008483 | ||
| The many roles of computation in drug discovery | Q34307063 | ||
| Control of hepatitis C: a medicinal chemistry perspective | Q36000824 | ||
| Comparing protein-ligand docking programs is difficult. | Q36152993 | ||
| HCV antiviral resistance: the impact of in vitro studies on the development of antiviral agents targeting the viral NS5B polymerase | Q36244361 | ||
| Advances in the development of new therapeutic agents targeting the NS3-4A serine protease or the NS5B RNA-dependent RNA polymerase of the hepatitis C virus | Q36942369 | ||
| Computational alanine scanning and free energy decomposition for E. coli type I signal peptidase with lipopeptide inhibitor complex | Q40209158 | ||
| Comparative evaluation of 11 scoring functions for molecular docking | Q44457437 | ||
| Protein flexibility in ligand docking and virtual screening to protein kinases. | Q44786754 | ||
| Discovery of proline sulfonamides as potent and selective hepatitis C virus NS5b polymerase inhibitors. Evidence for a new NS5b polymerase binding site | Q45416387 | ||
| Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model | Q46045309 | ||
| Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid. | Q46465485 | ||
| Molecular dynamics and free energy studies on the wild-type and double mutant HIV-1 protease complexed with amprenavir and two amprenavir-related inhibitors: mechanism for binding and drug resistance | Q46523471 | ||
| Rapid and accurate prediction of binding free energies for saquinavir-bound HIV-1 proteases. | Q46787614 | ||
| Assessing scoring functions for protein-ligand interactions | Q47429905 | ||
| Structure-aided drug design's next generation | Q47662264 | ||
| Structure-based drug design | Q57206166 | ||
| P433 | issue | 1 | |
| P921 | main subject | molecular dynamics simulation | Q901663 |
| P304 | page(s) | 49-59 | |
| P577 | publication date | 2009-05-26 | |
| P1433 | published in | Journal of Molecular Modeling | Q1709860 |
| P1476 | title | Insight into ligand selectivity in HCV NS5B polymerase: molecular dynamics simulations, free energy decomposition and docking | |
| P478 | volume | 16 |
| Q37894718 | Allosteric inhibition of the hepatitis C virus NS5B polymerase: in silico strategies for drug discovery and development |
| Q50277392 | Artocarpus altilis CG-901 alters critical nodes in the JH1-kinase domain of Janus kinase 2 affecting upstream JAK/STAT3 signaling. |
| Q85679997 | Computational study enlightens the structural role of the alcohol acyltransferase DFGWG motif |
| Q42228191 | Exploiting ChEMBL database to identify indole analogs as HCV replication inhibitors |
| Q38477601 | Free energy calculation using molecular dynamics simulation combined with the three-dimensional reference interaction site model theory. II. Thermodynamic integration along a spatial reaction coordinate |
| Q34530512 | Multiple virtual screening approaches for finding new hepatitis C virus RNA-dependent RNA polymerase inhibitors: structure-based screens and molecular dynamics for the pursue of new poly pharmacological inhibitors |
| Q41681901 | Searching for anthranilic acid-based thumb pocket 2 HCV NS5B polymerase inhibitors through a combination of molecular docking, 3D-QSAR and virtual screening |
| Q42751041 | Structure prediction, molecular dynamics simulation and docking studies of D-specific dehalogenase from Rhizobium sp. RC1 |
| Q33631936 | Structure-based virtual screening, synthesis and SAR of novel inhibitors of hepatitis C virus NS5B polymerase. |
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