3,642 results found
    1. Computational and Systems Biology

    Comprehensive and unbiased multiparameter high-throughput screening by compaRe finds effective and subtle drug responses in AML models

    Morteza Chalabi Hajkarim, Ella Karjalainen ... Kyoung-Jae Won
    compaRe can be used to optimize cytometric high-parameter immunophenotypic characterization of heterogeneous cell populations.
    1. Biochemistry and Chemical Biology
    2. Computational and Systems Biology

    SIMMER employs similarity algorithms to accurately identify human gut microbiome species and enzymes capable of known chemical transformations

    Annamarie E Bustion, Renuka R Nayak ... Katherine S Pollard
    Computational reaction representations and profile hidden Markov model searches of metagenomics databases can be harnessed to accurately predict bacterial species and enzyme sequences responsible for biotransformations in the human gut microbiome.
    1. Computational and Systems Biology
    2. Medicine

    NICEdrug.ch, a workflow for rational drug design and systems-level analysis of drug metabolism

    Homa MohammadiPeyhani, Anush Chiappino-Pepe ... Vassily Hatzimanikatis
    NICEdrug.ch is a resource allowing systematic and large-scale computational analysis of drug biochemistry, enzymatic targets, and toxicity in the context of cellular metabolism.
    1. Biochemistry and Chemical Biology
    2. Microbiology and Infectious Disease

    The human gut chemical landscape predicts microbe-mediated biotransformation of foods and drugs

    Leah Guthrie, Sarah Wolfson, Libusha Kelly
    A network of the gut chemical landscape predicts microbe-mediated biotransformation of foods and drugs and supports the generation of mechanistic hypotheses of microbiome metabolic phenotypes that shape human biology.
    1. Neuroscience

    Hippocampal place cell remapping occurs with memory storage of aversive experiences

    Garrett J Blair, Changliang Guo ... Hugh T Blair
    Imaging of neurons within the hippocampus, a memory region of the brain, reveals how the brain updates memories during different learning conditions compared to when learning is blocked by amnestic drugs.
    1. Cell Biology
    2. Physics of Living Systems

    A high-throughput platform for single-molecule tracking identifies drug interaction and cellular mechanisms

    David Trombley McSwiggen, Helen Liu ... Hilary P Beck
    Single-molecule tracking at scale, analyzing millions of cells and thousands of compounds per day, demonstrates that measuring protein motion provides mechanistic insights relevant to drug discovery.
    1. Neuroscience

    Dopamine regulates stimulus generalization in the human hippocampus

    Thorsten Kahnt, Philippe N Tobler
    Inhibition of dopamine D2 receptors reduces generalization between stimuli, possibly by reducing interactions between the hippocampus and midbrain.
    1. Computational and Systems Biology
    2. Evolutionary Biology

    Distinguishing mutants that resist drugs via different mechanisms by examining fitness tradeoffs

    Kara Schmidlin, Sam Apodaca ... Kerry Geiler-Samerotte
    Nearly a thousand diverse adaptive mutants converge into a handful of groups for which fitness responds the same way to environmental change.
    1. Cancer Biology
    2. Structural Biology and Molecular Biophysics

    Dynamics of human protein kinase Aurora A linked to drug selectivity

    Warintra Pitsawong, Vanessa Buosi ... Dorothee Kern
    Slow conformational changes after drug binding rationalize selectivity, affinity and long on-target residence time for kinase inhibitors.
    1. Computational and Systems Biology

    Decoding mechanism of action and sensitivity to drug candidates from integrated transcriptome and chromatin state

    Caterina Carraro, Lorenzo Bonaguro ... Barbara Gatto
    Combined analyses of transcriptome and chromatin accessibility elucidated the mechanisms underlying cancer cell lines response to antitumor candidates and provided a versatile perturbation-informed basal signature able to predict drug sensitivity.

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