Search Results - "PEREZ, Marta"

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    The SwissSimilarity 2021 Web Tool: Novel Chemical Libraries and Additional Methods for an Enhanced Ligand-Based Virtual Screening Experience by Bragina, Maiia E, Daina, Antoine, Perez, Marta A S, Michielin, Olivier, Zoete, Vincent

    “…Hit finding, scaffold hopping, and structure-activity relationship studies are important tasks in rational drug discovery. Implementation of these tasks…”
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    Journal Article
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    The Structure of the Protonated Serine Octamer by Scutelnic, Valeriu, Perez, Marta A. S, Marianski, Mateusz, Warnke, Stephan, Gregor, Aurelien, Rothlisberger, Ursula, Bowers, Michael T, Baldauf, Carsten, von Helden, Gert, Rizzo, Thomas R, Seo, Jongcheol

    Published in Journal of the American Chemical Society (20-06-2018)
    “…The amino acid serine has long been known to form a protonated “magic-number” cluster containing eight monomer units that shows an unusually high abundance in…”
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    Journal Article
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    T-cell repertoire analysis and metrics of diversity and clonality by Chiffelle, Johanna, Genolet, Raphael, Perez, Marta AS, Coukos, George, Zoete, Vincent, Harari, Alexandre

    Published in Current opinion in biotechnology (01-10-2020)
    “…[Display omitted] •Immune fitness in health and disease depends notably on the diversity of cellular repertoires.•Single-cell sequencing is fostering the…”
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    Journal Article
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    SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina by Bugnon, Marine, Röhrig, Ute F, Goullieux, Mathilde, Perez, Marta A S, Daina, Antoine, Michielin, Olivier, Zoete, Vincent

    Published in Nucleic acids research (30-04-2024)
    “…Drug discovery aims to identify potential therapeutic compounds capable of modulating the activity of specific biological targets. Molecular docking can…”
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    SwissBioisostere 2021: updated structural, bioactivity and physicochemical data delivered by a reshaped web interface by Cuozzo, Alessandro, Daina, Antoine, Perez, Marta A S, Michielin, Olivier, Zoete, Vincent

    Published in Nucleic acids research (07-01-2022)
    “…Abstract At several stages of drug discovery, bioisosteric replacement is a common and efficient practice to find new bioactive chemotypes or to optimize…”
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    Rift migration explains continental margin asymmetry and crustal hyper-extension by Brune, Sascha, Heine, Christian, Pérez-Gussinyé, Marta, Sobolev, Stephan V.

    Published in Nature communications (06-06-2014)
    “…When continents break apart, continental crust and lithosphere are thinned until break-up is achieved and an oceanic basin is formed. The most remarkable and…”
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    Landscape configuration modulates carbon storage in seagrass sediments by Ricart, Aurora M., Pérez, Marta, Romero, Javier

    Published in Estuarine, coastal and shelf science (05-02-2017)
    “…Climate change has increased interest in seagrass systems as natural carbon sinks and recent studies have estimated the carbon stocks associated with seagrass…”
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    SwissParam 2023: A Modern Web-Based Tool for Efficient Small Molecule Parametrization by Bugnon, Marine, Goullieux, Mathilde, Röhrig, Ute F., Perez, Marta A. S., Daina, Antoine, Michielin, Olivier, Zoete, Vincent

    “…Most steps of drug discovery are now routinely supported and accelerated by computer-aided drug design tools. Among them, structure-based approaches use the…”
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    What does a zero mean? Understanding false, random and structural zeros in ecology by Blasco‐Moreno, Anabel, Pérez‐Casany, Marta, Puig, Pedro, Morante, Maria, Castells, Eva, O'Hara, Robert B.

    Published in Methods in ecology and evolution (01-07-2019)
    “…Zeros (i.e. events that do not happen) are the source of two common phenomena in count data: overdispersion and zero‐inflation. Zeros have multiple origins in…”
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    Journal Article Publication
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    Post mortem analysis of fatigue mechanisms in LiNi0.8Co0.15Al0.05O2 – LiNi0.5Co0.2Mn0.3O2 – LiMn2O4/graphite lithium ion batteries by Lang, Michael, Darma, Mariyam Susana Dewi, Kleiner, Karin, Riekehr, Lars, Mereacre, Liuda, Ávila Pérez, Marta, Liebau, Verena, Ehrenberg, Helmut

    Published in Journal of power sources (15-09-2016)
    “…The fatigue of commercial lithium ion batteries after long-term cycling at two different temperatures and cycling rates is investigated. The cells are opened…”
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    Journal Article
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    Antiviral activity of palmitic acid via autophagic flux inhibition in zebrafish (Danio rerio) by Librán-Pérez, Marta, Pereiro, Patricia, Figueras, Antonio, Novoa, Beatriz

    Published in Fish & shellfish immunology (01-12-2019)
    “…Fatty acids (FAs) are key elements that affect not only growth but also different immune functions, and therefore, nutrition is important for growing healthy…”
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    Challenges and Opportunities for Bio-oil Refining: A Review by Pinheiro Pires, Anamaria Paiva, Arauzo, Jesus, Fonts, Isabel, Domine, Marcelo E, Fernández Arroyo, Alberto, Garcia-Perez, Marta Estrella, Montoya, Jorge, Chejne, Farid, Pfromm, Peter, Garcia-Perez, Manuel

    Published in Energy & fuels (20-06-2019)
    “…Bio-oil derived from fast pyrolysis of lignocellulosic materials is among the most complex and inexpensive raw oils that can be produced today. Although…”
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    Can hotel employees arise internal whistleblowing intentions? Leader ethics, workplace virtues and moral courage by Mkheimer, Ibrahim M., Selem, Kareem M., Shehata, Ali Elsayed, Hussain, Kashif, Perez Perez, Marta

    “…Purpose This study investigates the relationship between leaders' ethical behaviors and internal whistleblowing among hotel employees through the mediation…”
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    Genetic Algorithm Based Design and Experimental Characterization of a Highly Thermostable Metalloprotein by Bozkurt, Esra, Perez, Marta A. S, Hovius, Ruud, Browning, Nicholas J, Rothlisberger, Ursula

    Published in Journal of the American Chemical Society (04-04-2018)
    “…The development of thermostable and solvent-tolerant metalloproteins is a long-sought goal for many applications in synthetic biology and biotechnology. In…”
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    Gating mechanism of hyperpolarization-activated HCN pacemaker channels by Ramentol, Rosamary, Perez, Marta E., Larsson, H. Peter

    Published in Nature communications (17-03-2020)
    “…Hyperpolarization-activated cyclic nucleotide-gated (HCN) channels are essential for rhythmic activity in the heart and brain, and mutations in HCN channels…”
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    An analysis of factors affecting students´ perceptions of learning outcomes with Moodle by Pérez-Pérez, Marta, Serrano-Bedia, Ana M., García-Piqueres, Gema

    Published in Journal of further and higher education (13-09-2020)
    “…Learning Management Systems (LMSs) have a strong effect on the teaching-learning process in higher education. However, specific research on the factors that…”
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    Adenovirus Structure: What Is New? by Gallardo, José, Pérez-Illana, Marta, Martín-González, Natalia, San Martín, Carmen

    “…Adenoviruses are large (~950 Å) and complex non-enveloped, dsDNA icosahedral viruses. They have a pseudo-T = 25 triangulation number with at least 12 different…”
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