| scholarly article | Q13442814 |
| P50 | author | J. Andrew McCammon | Q6104601 |
| Stephen H. Hughes | Q74765624 | ||
| P2093 | author name string | Anthony Ivetac | |
| John A T Young | |||
| John Naughton | |||
| Arturo Diaz | |||
| Paul L Boyer | |||
| Sara E Swift | |||
| P2860 | cites work | The Protein Data Bank | Q24515306 |
| Elucidating the inhibition mechanism of HIV-1 non-nucleoside reverse transcriptase inhibitors through multicopy molecular dynamics simulations | Q24654012 | ||
| HIV-1 reverse transcription | Q27023387 | ||
| Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors | Q27651379 | ||
| Difluoromethylbenzoxazole pyrimidine thioether derivatives: a novel class of potent non-nucleoside HIV-1 reverse transcriptase inhibitors | Q27675153 | ||
| HIV-1 restriction factor SAMHD1 is a deoxynucleoside triphosphate triphosphohydrolase | Q27675416 | ||
| GROMACS: fast, flexible, and free | Q27860998 | ||
| Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes | Q29616736 | ||
| A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6 | Q29617517 | ||
| Vpr is required for efficient replication of human immunodeficiency virus type-1 in mononuclear phagocytes | Q29619514 | ||
| Ensemble-based virtual screening reveals potential novel antiviral compounds for avian influenza neuraminidase. | Q30370020 | ||
| Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoring | Q33303221 | ||
| Discovery of wild-type and Y181C mutant non-nucleoside HIV-1 reverse transcriptase inhibitors using virtual screening with multiple protein structures | Q33635679 | ||
| Human immunodeficiency virus type 1 inhibits DNA damage-triggered apoptosis by a Nef-independent mechanism | Q33755059 | ||
| Human immunodeficiency virus reverse transcriptase substrate-induced conformational changes and the mechanism of inhibition by nonnucleoside inhibitors | Q34026086 | ||
| Persistence of nevirapine-resistant HIV-1 in women after single-dose nevirapine therapy for prevention of maternal-to-fetal HIV-1 transmission | Q34598577 | ||
| Non-bisphosphonate inhibitors of isoprenoid biosynthesis identified via computer-aided drug design. | Q35163073 | ||
| Computationally-guided optimization of a docking hit to yield catechol diethers as potent anti-HIV agents | Q35673318 | ||
| Discovery of dimeric inhibitors by extension into the entrance channel of HIV-1 reverse transcriptase | Q35753013 | ||
| HIV-1 and HIV-2 reverse transcriptases: different mechanisms of resistance to nucleoside reverse transcriptase inhibitors | Q35943486 | ||
| An improved relaxed complex scheme for receptor flexibility in computer-aided drug design | Q36838120 | ||
| Discovery of drug-like inhibitors of an essential RNA-editing ligase in Trypanosoma brucei | Q36960711 | ||
| Discovery of Staphylococcus aureus sortase A inhibitors using virtual screening and the relaxed complex scheme | Q37344732 | ||
| HIV-1 NNRTIs: structural diversity, pharmacophore similarity, and implications for drug design | Q37869442 | ||
| Structure-activity relationship studies of novel benzophenones leading to the discovery of a potent, next generation HIV nonnucleoside reverse transcriptase inhibitor | Q40328156 | ||
| A quantitative assay for HIV DNA integration in vivo | Q40809319 | ||
| Pyrimidine thioethers: a novel class of HIV-1 reverse transcriptase inhibitors with activity against BHAP-resistant HIV. | Q41006935 | ||
| (-)-6-Chloro-2-[(1-furo[2, 3-c]pyridin-5-ylethyl)thio]-4-pyrimidinamine, PNU-142721, a new broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitor | Q41041240 | ||
| Benzophenone derivatives: a novel series of potent and selective inhibitors of human immunodeficiency virus type 1 reverse transcriptase | Q41346135 | ||
| The benzylthio-pyrimidine U-31,355, a potent inhibitor of HIV-1 reverse transcriptase | Q42556920 | ||
| The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme | Q44310443 | ||
| Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT. | Q46460113 | ||
| GROMACS: A message-passing parallel molecular dynamics implementation | Q51756282 | ||
| Mechanism of inhibition of HIV-1 reverse transcriptase by nonnucleoside inhibitors. | Q55063317 | ||
| GROMACS 3.0: a package for molecular simulation and trajectory analysis | Q57082068 | ||
| The GROMOS Biomolecular Simulation Program Package | Q57746723 | ||
| Computer-aided design of non-nucleoside inhibitors of HIV-1 reverse transcriptase | Q81428499 | ||
| P433 | issue | 5 | |
| P921 | main subject | virtual screening | Q4112105 |
| P304 | page(s) | 521-531 | |
| P577 | publication date | 2014-03-24 | |
| P1433 | published in | Chemical Biology and Drug Design | Q15749458 |
| P1476 | title | Discovery of novel inhibitors of HIV-1 reverse transcriptase through virtual screening of experimental and theoretical ensembles | |
| P478 | volume | 83 |
| Q34435637 | 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-containing compounds having high potency against raltegravir-resistant integrase mutants of HIV-1 |
| Q57832765 | Advances in the development of pyridinone derivatives as non-nucleoside reverse transcriptase inhibitors |
| Q26777448 | Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitors |
| Q42320200 | Enhancing Virtual Screening Performance of Protein Kinases with Molecular Dynamics Simulations |
| Q33966870 | Enrichment of chemical libraries docked to protein conformational ensembles and application to aldehyde dehydrogenase 2 |
| Q59359510 | Molecular Docking Studies of HIV-1 Resistance to Reverse Transcriptase Inhibitors: Mini-Review |
| Q38260066 | Novel HIV-1 non-nucleoside reverse transcriptase inhibitors: a patent review (2011-2014). |
| Q38802457 | Stimuli-sensitive thiolated hyaluronic acid based nanofibers: synthesis, preclinical safety and in vitro anti-HIV activity. |
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