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
Published in International journal of molecular sciences (12-01-2022)“…Hit finding, scaffold hopping, and structure-activity relationship studies are important tasks in rational drug discovery. Implementation of these tasks…”
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2
The Structure of the Protonated Serine Octamer
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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3
T-cell repertoire analysis and metrics of diversity and clonality
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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SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina
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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5
Sensitive identification of neoantigens and cognate TCRs in human solid tumors
Published in Nature biotechnology (01-05-2022)“…The identification of patient-specific tumor antigens is complicated by the low frequency of T cells specific for each tumor antigen. Here we describe…”
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SwissBioisostere 2021: updated structural, bioactivity and physicochemical data delivered by a reshaped web interface
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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7
Rift migration explains continental margin asymmetry and crustal hyper-extension
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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8
Landscape configuration modulates carbon storage in seagrass sediments
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
Published in Journal of chemical information and modeling (13-11-2023)“…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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10
What does a zero mean? Understanding false, random and structural zeros in ecology
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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Post mortem analysis of fatigue mechanisms in LiNi0.8Co0.15Al0.05O2 – LiNi0.5Co0.2Mn0.3O2 – LiMn2O4/graphite lithium ion batteries
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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Antiviral activity of palmitic acid via autophagic flux inhibition in zebrafish (Danio rerio)
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
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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14
Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes
Published in Immunity (Cambridge, Mass.) (13-06-2023)“…CD4+ T cells orchestrate the adaptive immune response against pathogens and cancer by recognizing epitopes presented on class II major histocompatibility…”
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Can hotel employees arise internal whistleblowing intentions? Leader ethics, workplace virtues and moral courage
Published in European journal of management and business economics (12-05-2023)“…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
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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17
Gating mechanism of hyperpolarization-activated HCN pacemaker channels
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
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?
Published in International journal of molecular sciences (15-05-2021)“…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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Neoantigen-specific CD8 T cells with high structural avidity preferentially reside in and eliminate tumors
Published in Nature communications (06-06-2023)“…The success of cancer immunotherapy depends in part on the strength of antigen recognition by T cells. Here, we characterize the T cell receptor (TCR)…”
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