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Identification of candidate causal variants and target genes at 41 breast cancer risk loci through differential allelic expression analysis.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-72163-y
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GRB7-mediated enhancement of cell malignant characteristics induced by Helicobacter pylori infection.
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- Frontiers in Microbiology, 2024, p. 1, doi. 10.3389/fmicb.2024.1469953
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Disulfide Bond Engineering of Soluble ACE2 for Thermal Stability Enhancement.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 18, p. 9919, doi. 10.3390/ijms25189919
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Regulatory mechanism of C4-dicarboxylates in cyclo (Phe-Pro) production.
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- Microbial Cell Factories, 2024, v. 23, n. 1, p. 1, doi. 10.1186/s12934-024-02527-6
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CNNM proteins selectively bind to the TRPM7 channel to stimulate divalent cation entry into cells.
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- PLoS Biology, 2021, v. 19, n. 12, p. 1, doi. 10.1371/journal.pbio.3001496
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Structures of the human cholecystokinin 1 (CCK1) receptor bound to Gs and Gq mimetic proteins provide insight into mechanisms of G protein selectivity.
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- PLoS Biology, 2021, v. 19, n. 6, p. 1, doi. 10.1371/journal.pbio.3001295
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High-resolution organization of mouse centromeric and pericentromeric DNA.
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- Cytogenetic & Genome Research, 2006, v. 112, n. 3/4, p. 248, doi. 10.1159/000089878
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Assignment of cellular retinoic acid-binding protein 1 (CRABP1) and 2 (CRABP2) to porcine chromosome 7q12→q23 and 4q21→q23 by somatic cell and radiation hybrid panel mapping.
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- Cytogenetic & Genome Research, 2006, v. 112, n. 1/2, p. 180B, doi. 10.1159/000087534
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Pharmacokinetics and safety of lefamulin after single intravenous dose administration in subjects with impaired‐hepatic function.
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- Pharmacotherapy, 2021, v. 41, n. 5, p. 457, doi. 10.1002/phar.2522
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Lack of a Clinically Significant Pharmacokinetic Interaction between Etravirine and Raltegravir Using an Original Approach Based on Drug Metabolism, Protein Binding, and Penetration in Seminal Fluid: A Pharmacokinetic Substudy of the ANRS‐163 ETRAL Study
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- Pharmacotherapy, 2019, v. 39, n. 4, p. 514, doi. 10.1002/phar.2242
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Clinical Importance of Monitoring Unbound Valproic Acid Concentration in Patients with Hypoalbuminemia.
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- Pharmacotherapy, 2017, v. 37, n. 8, p. 900, doi. 10.1002/phar.1965
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Clinical Laboratory-Based Assay Methodologies May Underestimate and Increase Variability of Vancomycin Protein Binding in Hospitalized Patients.
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- Pharmacotherapy, 2014, v. 34, n. 2, p. 203, doi. 10.1002/phar.1323
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Therapeutic Drug Monitoring of Phenytoin in Critically Ill Patients.
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- Pharmacotherapy, 2008, v. 28, n. 11, p. 1391, doi. 10.1592/phco.28.11.1391
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Enhanced Antithrombotic Effect of Warfarin Associated with Low-Dose Alcohol Consumption.
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- Pharmacotherapy, 2005, v. 25, n. 2, p. 303, doi. 10.1592/phco.25.2.303.56955
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In Vitro Studies on Protein Binding of Polyhydroxybutyrate Isolated from Rhodopseudomonas palustris KRPR02.
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- Macromolecular Symposia, 2022, v. 402, n. 1, p. 1, doi. 10.1002/masy.202100368
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Nanostructured Polymeric Functional Micelles for Drug Delivery Applications.
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- Macromolecular Symposia, 2013, v. 334, n. 1, p. 17, doi. 10.1002/masy.201300099
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Not All Binding Sites Are Equal: Site Determination and Folding State Analysis of Gas‐Phase Protein‐Metallodrug Adducts.
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- Chemistry - A European Journal, 2024, v. 30, n. 28, p. 1, doi. 10.1002/chem.202400268
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- Article
Selective Hydroxylation of C(sp<sup>3</sup>)−H Bonds in Steroids.
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- Chemistry - A European Journal, 2023, v. 29, n. 44, p. 1, doi. 10.1002/chem.202301066
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Harnessing the CRISPR‐Cas13d System for Protein Detection by Dual‐Aptamer‐Based Transcription Amplification.
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- Chemistry - A European Journal, 2023, v. 29, n. 10, p. 1, doi. 10.1002/chem.202202693
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Binding to Amyloid‐β Protein by Photothermal Blood‐Brain Barrier‐Penetrating Nanoparticles for Inhibition and Disaggregation of Fibrillation.
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- Advanced Functional Materials, 2021, v. 31, n. 41, p. 1, doi. 10.1002/adfm.202102953
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Handling complexity in biological interactions: Allostery and cooperativity in proteins.
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- Journal of Thermal Analysis & Calorimetry, 2019, v. 138, n. 5, p. 3229, doi. 10.1007/s10973-019-08610-0
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Correlation of protein binding pocket properties with hits' chemistries used in generation of ultra-large virtual libraries.
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- Journal of Computer-Aided Molecular Design, 2024, v. 38, n. 1, p. 1, doi. 10.1007/s10822-024-00562-4
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CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities.
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 6, p. 737, doi. 10.1007/s10822-021-00390-w
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Improving virtual screening results with MM/GBSA and MM/PBSA rescoring.
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 6, p. 731, doi. 10.1007/s10822-021-00389-3
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Simulation of MDM2 N-terminal domain conformational lability in the presence of imidazoline based inhibitors of MDM2-p53 protein–protein interaction.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 1, p. 55, doi. 10.1007/s10822-019-00260-6
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Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 12, p. 1011, doi. 10.1007/s10822-019-00240-w
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Improving ligand 3D shape similarity-based pose prediction with a continuum solvent model.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 12, p. 1045, doi. 10.1007/s10822-019-00220-0
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Assessing and improving the performance of consensus docking strategies using the DockBox package.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 9, p. 817, doi. 10.1007/s10822-019-00227-7
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Predicting protein-ligand binding modes for CELPP and GC3: workflows and insight.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 3, p. 367, doi. 10.1007/s10822-019-00185-0
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pK<sub>a</sub> measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments.
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- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 10, p. 1117, doi. 10.1007/s10822-018-0168-0
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Binding free energy predictions of farnesoid X receptor (FXR) agonists using a linear interaction energy (LIE) approach with reliability estimation: application to the D3R Grand Challenge 2.
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- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 1, p. 239, doi. 10.1007/s10822-017-0055-0
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Binding of carboxylate and trimethylammonium salts to octa-acid and TEMOA deep-cavity cavitands.
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- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 1, p. 21, doi. 10.1007/s10822-016-9925-0
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A pose prediction approach based on ligand 3D shape similarity.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 6, p. 457, doi. 10.1007/s10822-016-9923-2
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Insights into resistance mechanism of the macrolide biosensor protein MphR(A) binding to macrolide antibiotic erythromycin by molecular dynamics simulation.
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- Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 12, p. 1123, doi. 10.1007/s10822-015-9881-0
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Interpreting physicochemical experimental data sets.
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- Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 9, p. 779, doi. 10.1007/s10822-015-9850-7
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Chemical and protein structural basis for biological crosstalk between PPAR α and COX enzymes.
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- Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 2, p. 101, doi. 10.1007/s10822-014-9815-2
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A functional feature analysis on diverse protein-protein interactions: application for the prediction of binding affinity.
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- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 6, p. 619, doi. 10.1007/s10822-014-9746-y
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Blind prediction of HIV integrase binding from the SAMPL4 challenge.
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- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 4, p. 327, doi. 10.1007/s10822-014-9723-5
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Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge.
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- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 4, p. 429, doi. 10.1007/s10822-014-9709-3
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Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima method.
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- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 4, p. 463, doi. 10.1007/s10822-014-9726-2
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Estimation of relative binding free energy based on a free energy variational principle for the FKBP-ligand system.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 6, p. 479, doi. 10.1007/s10822-013-9657-3
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Protein pocket and ligand shape comparison and its application in virtual screening.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 6, p. 511, doi. 10.1007/s10822-013-9659-1
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Structural insights into the mechanism of translational inhibition by the fungicide sordarin.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 2, p. 173, doi. 10.1007/s10822-013-9636-8
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Biomacromolecular quantitative structure-activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein-protein binding affinity.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 1, p. 67, doi. 10.1007/s10822-012-9625-3
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Free enthalpies of replacing water molecules in protein binding pockets.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 12, p. 1293, doi. 10.1007/s10822-012-9620-8
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Consensus Induced Fit Docking (cIFD): methodology, validation, and application to the discovery of novel Crm1 inhibitors.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 11, p. 1217, doi. 10.1007/s10822-012-9611-9
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Predicting the effects of amino acid replacements in peptide hormones on their binding affinities for class B GPCRs and application to the design of secretin receptor antagonists.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 7, p. 835, doi. 10.1007/s10822-012-9574-x
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Application of shape-based and pharmacophore-based in silico screens for identification of Type II protein kinase inhibitors.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 6, p. 569, doi. 10.1007/s10822-011-9442-0
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Spatial chemical distance based on atomic property fields.
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- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 3, p. 173, doi. 10.1007/s10822-009-9316-x
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Scoring confidence index: statistical evaluation of ligand binding mode predictions.
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- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 5, p. 289, doi. 10.1007/s10822-008-9258-8
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- Article