| scholarly article | Q13442814 |
| P356 | DOI | 10.1021/JM100456A |
| P8608 | Fatcat ID | release_okvwjwwe6zaqnpuje6li36nz6e |
| P932 | PMC publication ID | 2895357 |
| P698 | PubMed publication ID | 20527952 |
| P5875 | ResearchGate publication ID | 44653809 |
| P50 | author | J. Andrew McCammon | Q6104601 |
| P2093 | author name string | Michael A J Ferguson | |
| Michael D Urbaniak | |||
| Jacob D Durrant | |||
| P2860 | cites work | Novobiocin antagonism of amastigotes of Trypanosoma cruzi growing in cell-free medium | Q35648704 |
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| Nifurtimox-eflornithine combination therapy for second-stage African Trypanosoma brucei gambiense trypanosomiasis: a multicentre, randomised, phase III, non-inferiority trial | Q28250035 | ||
| Cation-pi interactions in chemistry and biology: a new view of benzene, Phe, Tyr, and Trp | Q28271872 | ||
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| Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble. | Q30367220 | ||
| High-throughput docking for lead generation | Q30663788 | ||
| The suppression of galactose metabolism in procylic form Trypanosoma brucei causes cessation of cell growth and alters procyclin glycoprotein structure and copy number. | Q31153696 | ||
| Virtual screening of chemical libraries | Q33209939 | ||
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| Computer-based de novo design of drug-like molecules | Q34438895 | ||
| The GROMOS software for biomolecular simulation: GROMOS05. | Q34457783 | ||
| Discovery of a novel binding trench in HIV integrase. | Q34546744 | ||
| Integration of virtual and high-throughput screening | Q34988235 | ||
| Natural products as antiparasitic drugs. | Q35205953 | ||
| Force fields for protein simulations | Q35590728 | ||
| Drug transport and drug resistance in African trypanosomes | Q35595422 | ||
| P433 | issue | 13 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | Trypanosoma brucei | Q33244 |
| African trypanosomiasis | Q203133 | ||
| UDP-galactose 4-epimerase | Q61587614 | ||
| P304 | page(s) | 5025-5032 | |
| P577 | publication date | 2010-07-01 | |
| P1433 | published in | Journal of Medicinal Chemistry | Q900316 |
| P1476 | title | Computer-aided identification of Trypanosoma brucei uridine diphosphate galactose 4'-epimerase inhibitors: toward the development of novel therapies for African sleeping sickness | |
| P478 | volume | 53 |
| Q36520871 | Accounting for receptor flexibility and enhanced sampling methods in computer-aided drug design |
| Q36162284 | Altered cofactor binding affects stability and activity of human UDP-galactose 4'-epimerase: implications for type III galactosemia |
| Q28481518 | AutoClickChem: click chemistry in silico |
| Q42752718 | Biosynthesis of galactofuranose in kinetoplastids: novel therapeutic targets for treating leishmaniasis and chagas' disease |
| Q58719254 | Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview |
| Q36753140 | Chemical proteomic analysis reveals the drugability of the kinome of Trypanosoma brucei. |
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| Q33898663 | Essential multimeric enzymes in kinetoplastid parasites: A host of potentially druggable protein-protein interactions |
| Q27001129 | Exploring the role of receptor flexibility in structure-based drug discovery |
| Q28487053 | High throughput screen identifies small molecule inhibitors specific for Mycobacterium tuberculosis phosphoserine phosphatase |
| Q33832474 | In silico identification of viper phospholipaseA2 inhibitors: validation by in vitro, in vivo studies |
| Q36290790 | LigMerge: a fast algorithm to generate models of novel potential ligands from sets of known binders |
| Q34061019 | Molecular dynamics simulations and drug discovery |
| Q35733861 | Molecular recognition in the case of flexible targets |
| Q34053706 | NNScore 2.0: a neural-network receptor-ligand scoring function |
| Q34240465 | NNScore: a neural-network-based scoring function for the characterization of protein-ligand complexes |
| Q35163073 | Non-bisphosphonate inhibitors of isoprenoid biosynthesis identified via computer-aided drug design. |
| Q34276214 | Novel cruzain inhibitors for the treatment of Chagas' disease |
| Q93202753 | Prospects of multitarget drug designing strategies by linking molecular docking and molecular dynamics to explore the protein-ligand recognition process |
| Q30039761 | Pyrone-Based Inhibitors of Metalloproteinase Types 2 and 3 May Work as Conformation-Selective Inhibitors |
| Q39789752 | The first C-glycosidic analogue of a novel galactosyltransferase inhibitor. |
| Q36103511 | The molecular dynamics of Trypanosoma brucei UDP-galactose 4'-epimerase: a drug target for African sleeping sickness |
| Q38014574 | The role of long-range intermolecular interactions in discovery of new drugs |
| Q35225231 | UDP-galactose 4'-epimerase from the liver fluke, Fasciola hepatica: biochemical characterization of the enzyme and identification of inhibitors. |
| Q28484387 | Virtual screening and biological evaluation of inhibitors targeting the XPA-ERCC1 interaction |
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