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Enabling data-limited chemical bioactivity predictions through deep neural network transfer learning.
- Published in:
- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 12, p. 867, doi. 10.1007/s10822-022-00486-x
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- Publication type:
- Article
Assessing Chemical-Induced Liver Injury In Vivo From In Vitro Gene Expression Data in the Rat: The Case of Thioacetamide Toxicity.
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- Frontiers in Genetics, 2019, v. 10, p. 1, doi. 10.3389/fgene.2019.01233
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- Publication type:
- Article
Mining Public Toxicogenomic Data Reveals Insights and Challenges in Delineating Liver Steatosis Adverse Outcome Pathways.
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- Frontiers in Genetics, 2019, p. 1, doi. 10.3389/fgene.2019.01007
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- Publication type:
- Article
Phenotypic Characterization of a Novel Virulence-Factor Deletion Strain of Burkholderia mallei That Provides Partial Protection against Inhalational Glanders in Mice.
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- Frontiers in Cellular & Infection Microbiology, 2016, v. 6, p. 1, doi. 10.3389/fcimb.2016.00021
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- Publication type:
- Article
Development and validation of a mathematical model to simulate human cardiovascular and respiratory responses to battlefield trauma.
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- International Journal for Numerical Methods in Biomedical Engineering, 2023, v. 39, n. 1, p. 1, doi. 10.1002/cnm.3662
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- Publication type:
- Article
Data-driven identification of structural alerts for mitigating the risk of drug-induced human liver injuries.
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- Journal of Cheminformatics, 2015, v. 7, n. 1, p. 1, doi. 10.1186/s13321-015-0053-y
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- Publication type:
- Article
Can computationally designed protein sequences improve secondary structure prediction?
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- PEDS: Protein Engineering, Design & Selection, 2011, v. 24, n. 5, p. 455, doi. 10.1093/protein/gzr003
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- Publication type:
- Article
Data-driven prediction of adverse drug reactions induced by drug-drug interactions.
- Published in:
- BMC Pharmacology & Toxicology, 2017, v. 18, p. 1, doi. 10.1186/s40360-017-0153-6
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- Publication type:
- Article
Molecular Simulations Reveal the Role of Antibody Fine Specificity and Viral Maturation State on Antibody-Dependent Enhancement of Infection in Dengue Virus.
- Published in:
- Frontiers in Cellular & Infection Microbiology, 2019, v. 9, p. N.PAG, doi. 10.3389/fcimb.2019.00200
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- Publication type:
- Article
Metabolic host responses to malarial infection during the intraerythrocytic developmental cycle.
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- BMC Systems Biology, 2016, v. 10, p. 1, doi. 10.1186/s12918-016-0291-2
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- Publication type:
- Article
Bridging the gap between gene expression and metabolic phenotype via kinetic models.
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- BMC Systems Biology, 2013, v. 7, n. 1, p. 1, doi. 10.1186/1752-0509-7-63
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- Publication type:
- Article
Comparative Proteomic Analysis of Liver Steatosis and Fibrosis after Oral Hepatotoxicant Administration in Sprague-Dawley Rats.
- Published in:
- Toxicologic Pathology, 2018, v. 46, n. 2, p. 202, doi. 10.1177/0192623317747549
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- Publication type:
- Article
Using the antibody-antigen binding interface to train image-based deep neural networks for antibody-epitope classification.
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- PLoS Computational Biology, 2021, v. 17, n. 3, p. 1, doi. 10.1371/journal.pcbi.1008864
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- Publication type:
- Article
Metabolic network-based predictions of toxicant-induced metabolite changes in the laboratory rat.
- Published in:
- Scientific Reports, 2018, v. 8, n. 1, p. 1, doi. 10.1038/s41598-018-30149-7
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- Publication type:
- Article
Vinorelbine and epirubicin share common features with polysialic acid and modulate neuronal and glial functions.
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- Journal of Neurochemistry, 2016, v. 136, n. 1, p. 48, doi. 10.1111/jnc.13383
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- Publication type:
- Article
Nonyloxytryptamine mimics polysialic acid and modulates neuronal and glial functions in cell culture.
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- Journal of Neurochemistry, 2014, v. 128, n. 1, p. 88, doi. 10.1111/jnc.12408
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- Publication type:
- Article
Front cover: Immunostaining for P0 (green) and neurofilament (red) of co-cultured dorsal root ganglion neurons and Schwann cells treated with the PSA mimetic nonyloxytryptamine after 21 DIV. DAPI staining (blue) was used to visualize cellular nuclei. Note that the number of P0/neurofilament double positive internodes on processes of dorsal root ganglion neurons is a measure for myelination.
- Published in:
- Journal of Neurochemistry, 2014, v. 128, n. 1, p. 00, doi. 10.1111/jnc.12530
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- Publication type:
- Article
Inter-study and time-dependent variability of metabolite abundance in cultured red blood cells.
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- Malaria Journal, 2021, v. 20, n. 1, p. 1, doi. 10.1186/s12936-021-03780-5
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- Publication type:
- Article
Modeling Phenotypic Metabolic Adaptations of Mycobacterium tuberculosis H37Rv under Hypoxia.
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- PLoS Computational Biology, 2012, v. 8, n. 9, p. 1, doi. 10.1371/journal.pcbi.1002688
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- Publication type:
- Article
Quantitative Predictions of Binding Free Energy Changes in Drug-Resistant Influenza Neuraminidase.
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- PLoS Computational Biology, 2012, v. 8, n. 8, p. 1, doi. 10.1371/journal.pcbi.1002665
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- Publication type:
- Article
A Novel Scoring Approach for Protein Co-Purification Data Reveals High Interaction Specificity.
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- PLoS Computational Biology, 2009, v. 5, n. 9, p. 1, doi. 10.1371/journal.pcbi.1000515
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- Publication type:
- Article
Probing the Extent of Randomness in Protein Interaction Networks.
- Published in:
- PLoS Computational Biology, 2008, v. 4, n. 7, p. 1, doi. 10.1371/journal.pcbi.1000114
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- Publication type:
- Article
AI algorithm for personalized resource allocation and treatment of hemorrhage casualties.
- Published in:
- Frontiers in Physiology, 2024, p. 1, doi. 10.3389/fphys.2024.1327948
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- Publication type:
- Article
PathNet: a tool for pathway analysis using topological information.
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- Source Code for Biology & Medicine, 2012, v. 7, n. 1, p. 1, doi. 10.1186/1751-0473-7-10
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- Publication type:
- Article
Volumetric characteristics of idiopathic pulmonary fibrosis lungs: computational analyses of high-resolution computed tomography images of lung lobes.
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- 2019
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- Publication type:
- journal article
The biological function of antibodies induced by the RTS,S/AS01 malaria vaccine candidate is determined by their fine specificity.
- Published in:
- Malaria Journal, 2016, v. 13, p. 1, doi. 10.1186/s12936-016-1348-9
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- Publication type:
- Article
Ten simple rules on how to create open access and reproducible molecular simulations of biological systems.
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- 2019
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- Publication type:
- Editorial
Linking the growth inhibition response from the National Cancer Institute's anticancer screen to gene expression levels and other molecular target data.
- Published in:
- Bioinformatics, 2003, v. 19, n. 17, p. 2212, doi. 10.1093/bioinformatics/btg302
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- Publication type:
- Article
Rapid screening of chemicals for their potential to cause specific toxidromes.
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- Frontiers in Drug Discovery, 2024, p. 1, doi. 10.3389/fddsv.2024.1324564
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- Publication type:
- Article
vNN Web Server for ADMET Predictions.
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- Frontiers in Pharmacology, 2017, p. 1, doi. 10.3389/fphar.2017.00889
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- Publication type:
- Article
Ewald summation retards translational motion in molecular dynamics simulation of water.
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- International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 381, doi. 10.1002/qua.560410212
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- Publication type:
- Article
Ewald summation retards translational motion in molecular dynamics simulation of water.
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- International Journal of Quantum Chemistry, 1990, v. 38, p. 245, doi. 10.1002/qua.560382425
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- Publication type:
- Article
Ewald summation retards translational motion in molecular dynamics simulation of water.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, p. 245, doi. 10.1002/qua.560382425
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- Publication type:
- Article
In silico analyses of substrate interactions with human serum paraoxonase 1.
- Published in:
- Proteins, 2009, v. 75, n. 2, p. 486, doi. 10.1002/prot.22264
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- Publication type:
- Article
Linking tumor cell cytotoxicity to mechanism of drug action: An integrated analysis of gene expression, small-molecule screening and structural databases.
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- Proteins, 2005, v. 59, n. 3, p. 403, doi. 10.1002/prot.20392
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- Publication type:
- Article
Metabolic responses in blood-stage malaria parasites associated with increased and decreased sensitivity to PfATP4 inhibitors.
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- Malaria Journal, 2023, v. 21, n. 1, p. 1, doi. 10.1186/s12936-023-04481-x
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- Publication type:
- Article
Mining kidney toxicogenomic data by using gene co-expression modules.
- Published in:
- BMC Genomics, 2016, v. 17, p. 1, doi. 10.1186/s12864-016-3143-y
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- Publication type:
- Article
Using host-pathogen protein interactions to identify and characterize Francisella tularensis virulence factors.
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- BMC Genomics, 2015, v. 16, p. 1, doi. 10.1186/s12864-015-2351-1
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- Publication type:
- Article
Reconstituting protein interaction networks using parameter-dependent domain-domain interactions.
- Published in:
- BMC Bioinformatics, 2013, v. 14, n. 1, p. 1, doi. 10.1186/1471-2105-14-154
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- Publication type:
- Article
Inferring high-confidence human protein-protein interactions.
- Published in:
- BMC Bioinformatics, 2012, v. 13, n. 1, p. 79, doi. 10.1186/1471-2105-13-79
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- Publication type:
- Article
DOVIS: an implementation for high-throughput virtual screening using AutoDock.
- Published in:
- BMC Bioinformatics, 2008, v. 9, p. 1, doi. 10.1186/1471-2105-9-126
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- Publication type:
- Article
Genome-Scale Model-Based Identification of Metabolite Indicators for Early Detection of Kidney Toxicity.
- Published in:
- Toxicological Sciences, 2020, v. 173, n. 2, p. 293, doi. 10.1093/toxsci/kfz228
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- Publication type:
- Article
Genome-Scale Characterization of Toxicity-Induced Metabolic Alterations in Primary Hepatocytes.
- Published in:
- Toxicological Sciences, 2019, v. 172, n. 2, p. 279, doi. 10.1093/toxsci/kfz197
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- Publication type:
- Article
Assessing Deep and Shallow Learning Methods for Quantitative Prediction of Acute Chemical Toxicity.
- Published in:
- Toxicological Sciences, 2018, v. 164, n. 2, p. 512, doi. 10.1093/toxsci/kfy111
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- Publication type:
- Article
Gene Expression Patterns Associated With Histopathology in Toxic Liver Fibrosis.
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- Toxicological Sciences, 2016, v. 149, n. 1, p. 67, doi. 10.1093/toxsci/kfv214
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- Publication type:
- Article
Quantitative Analysis of Repertoire-Scale Immunoglobulin properties in Vaccine-Induced B-cell Responses.
- Published in:
- Frontiers in Immunology, 2017, p. 1, doi. 10.3389/fimmu.2017.00910
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- Publication type:
- Article
Reconciled rat and human metabolic networks for comparative toxicogenomics and biomarker predictions.
- Published in:
- Nature Communications, 2017, v. 8, n. 2, p. 14250, doi. 10.1038/ncomms14250
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- Publication type:
- Article
A Fusion-Inhibiting Peptide against Rift Valley Fever Virus Inhibits Multiple, Diverse Viruses.
- Published in:
- PLoS Neglected Tropical Diseases, 2013, v. 7, n. 9, p. 1, doi. 10.1371/journal.pntd.0002430
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- Publication type:
- Article
A Fusion-Inhibiting Peptide against Rift Valley Fever Virus Inhibits Multiple, Diverse Viruses.
- Published in:
- PLoS Neglected Tropical Diseases, 2013, v. 7, n. 9, p. 1, doi. 10.1371/journal.pntd.0002430
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- Publication type:
- Article
Prediction of Metabolic Flux Distribution from Gene Expression Data Based on the Flux Minimization Principle.
- Published in:
- PLoS ONE, 2014, v. 9, n. 11, p. 1, doi. 10.1371/journal.pone.0112524
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- Publication type:
- Article