makereceptor gui of oedocking 3.2.0.2 software package (OpenEye Scientific Software Inc)
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Makereceptor Gui Of Oedocking 3.2.0.2 Software Package, supplied by OpenEye Scientific Software Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Selection:Article Title: Potential Novel Thioether-Amide or Guanidine-Linker Class of SARS-CoV-2 Virus RNA-Dependent RNA Polymerase Inhibitors Identified by High-Throughput Virtual Screening Coupled to Free-Energy Calculations Article Snippet: .. Upon model selection, receptors were generated as already described before using Generated:Article Title: Potential Novel Thioether-Amide or Guanidine-Linker Class of SARS-CoV-2 Virus RNA-Dependent RNA Polymerase Inhibitors Identified by High-Throughput Virtual Screening Coupled to Free-Energy Calculations Article Snippet: .. Upon model selection, receptors were generated as already described before using Article Title: Ensemble Docking Coupled to Linear Interaction Energy Calculations for Identification of Coronavirus Main Protease (3CL pro ) Non-Covalent Small-Molecule Inhibitors Article Snippet: .. The receptor structure was generated using N3-3CLpro crystal complex (PDB entry: 6LU7) with Article Title: Methylation of selenocysteine catalysed by thiopurine S-methyltransferase. Article Snippet: .. Receptor was generated using crystal model of mTPMT (PDB entry: 3BGD) with Article Title: Potential Novel Thioether-Amide or Guanidine-Linker Class of SARS-CoV-2 Virus RNA-Dependent RNA Polymerase Inhibitors Identified by High-Throughput Virtual Screening Coupled to Free-Energy Calculations Article Snippet: .. The receptor structure was generated using the Software:Article Title: Potential Novel Thioether-Amide or Guanidine-Linker Class of SARS-CoV-2 Virus RNA-Dependent RNA Polymerase Inhibitors Identified by High-Throughput Virtual Screening Coupled to Free-Energy Calculations Article Snippet: .. Upon model selection, receptors were generated as already described before using Article Title: Ensemble Docking Coupled to Linear Interaction Energy Calculations for Identification of Coronavirus Main Protease (3CL pro ) Non-Covalent Small-Molecule Inhibitors Article Snippet: .. The receptor structure was generated using N3-3CLpro crystal complex (PDB entry: 6LU7) with Article Title: Methylation of selenocysteine catalysed by thiopurine S-methyltransferase. Article Snippet: .. Receptor was generated using crystal model of mTPMT (PDB entry: 3BGD) with Article Title: Potential Novel Thioether-Amide or Guanidine-Linker Class of SARS-CoV-2 Virus RNA-Dependent RNA Polymerase Inhibitors Identified by High-Throughput Virtual Screening Coupled to Free-Energy Calculations Article Snippet: .. The receptor structure was generated using the other:Article Title: New antileishmanial quinoline linked isatin derivatives targeting DHFR-TS and PTR1: Design, synthesis, and molecular modeling studies. Article Snippet: In a search for new drug candidates for one of the neglected tropical diseases, leishmaniasis, twenty quinolineisatin hybrids were synthesized and tested for their in vitro antileishmanial activity against Leishmania major strain.. All the synthesized compounds showed promising in vitro activity against the promastigote form in a low micromolar range (IC50 = 0.5084–5.9486 μM) superior to the reference miltefosine (IC50 = 7.8976 μM).. All the target compounds were then tested against the intracellular amastigote form and showed promising inhibition effects (IC50 = 0.60442–8.2948 μM versus 8.08 μM for miltefosine). Article Title: Discovery of new pyridine-quinoline hybrids as competitive and non-competitive PIM-1 kinase inhibitors with apoptosis induction and caspase 3/7 activation capabilities Article Snippet: The PDB structures were prepared using |
![a, b . Epifluorescence-based widefield imaging of CD8 + T-cells interacting with a monolayer of Lo U-2 OS WT (a) and Lo U-2 OS ICAM-1 (b) cells presenting N-Med ImmTACs. White arrowheads indicate the first detectable close-contacts marked by accumulation of fluorescent CD58-HaloTag expressed by the U-2 OS cells. Images are displayed as maximum-intensity projections. Scale bars, 5 µm. c . Fraction of CD8 + T-cells forming close contacts with N-Med ImmTAC-presenting U-2 OS cells after 5’ (n=3 videos). Error bars show SD. Data were compared using a Welch t test. d . Killing of U-2 OS cells by CD8 + T-cells over time measured using <t>Incucyte</t> imaging. Killing assays were performed using CD8 + T-cells from three donors, in triplicate. Error bars show SEM. Data for Lo U-2 OS WT and Lo U-2 OS ICAM-1 cells at selected time points (t = 3, 6, 9 h) were compared using a Wilcoxon signed-rank test. e . N-Med EC 50 values measured in co-cultures of CD8 + T-cells with U-2 OS WT and U-2 OS ICAM-1 cells. EC 50 values were determined as in Fig. 1; see also Fig. S4. Error bars correspond to the 95% CI. EC 50 values were compared using an F-test of normalised data. Three co-cultures were performed as biological repeats, with measurements in triplicate. Data were collected using CD8 + T-cells from at least two donors. f-n . Image-based analysis of CD8 + T-cells interacting with Lo U-2 OS WT and Lo U-2 OS ICAM-1 cells [n=6 videos each with >20 interacting T cells; comparisons are made with T cells interacting with non ImmTAC-presenting U-2 OS cells (Fig. 2e-g)]. f, g . Average number of close contacts formed per T cell versus time (f) and 5’ after detecting the first close contact (g). h, i . Average summed area of close contacts per T cell versus time (h) and 5’ after detecting the first close contact (i). j, k . Average areas (j) and diameters (k) of all close contacts l . Average area of individual close contacts versus time. m, n . Average cumulative area of the target-cell surface scanned by a single T cell versus time (m) and 5’ after detecting the first close contact (n). Data were compared using a Kruskal-Wallis test and post-hoc Dunn’s test for multiple comparisons. Violin plots indicate median and quartiles. Imaging experiments were performed using CD8 + T-cells from at least two donors.](https://bio-rxiv-images-cdn.bioz.com/dois_ending_with_15/10__1101_slash_2025__08__29__673015/10__1101_slash_2025__08__29__673015___F3.large.jpg)