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CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories

Bioinformatics, 2018-10, Vol.34 (20), p.3586-3588

2018

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Transgenerational Inheritance of DNA Hypomethylation in Daphnia magna in Response to Salinity Stress

Environmental science & technology, 2018-09, Vol.52 (17), p.10114-10123

2018

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Computational design of enzymes for biotechnological applications

Biotechnology advances, 2021-03, Vol.47, p.107696, Article 107696

2021

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Catalytic Cycle of Haloalkane Dehalogenases Toward Unnatural Substrates Explored by Computational Modeling

Journal of chemical information and modeling, 2017-08, Vol.57 (8), p.1970-1989

2017

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Advancing Enzyme’s Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning

ACS catalysis, 2023-10, Vol.13 (19), p.12506-12518

2023

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Atypical homodimerization revealed by the structure of the ( S )-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum

Acta crystallographica. Section D, Biological crystallography., 2023-11, Vol.79 (11), p.956-970

2023

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Synthesizing the role of epigenetics in the response and adaptation of species to climate change in freshwater ecosystems

Molecular ecology, 2018-07, Vol.27 (13), p.2790-2806

2018

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Impact of the access tunnel engineering on catalysis is strictly ligand‐specific

The FEBS journal, 2018-04, Vol.285 (8), p.1456-1476

2018

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Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst

Chemical science (Cambridge), 2020-11, Vol.11 (41), p.11162-11178

2020

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Effects of Eucalypt ashes from moderate and high severity wildfires on the skin microbiome of the Iberian frog (Rana iberica)

Environmental pollution (1987), 2022-11, Vol.313, p.120065-120065, Article 120065

2022

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Computational Study of Protein-Ligand Unbinding for Enzyme Engineering

Frontiers in chemistry, 2019-01, Vol.6, p.650

2019

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InVADo: Interactive Visual Analysis of Molecular Docking Data

IEEE transactions on visualization and computer graphics, 2024-04, Vol.30 (4), p.1-14

2024

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Illuminating the mechanism and allosteric behavior of NanoLuc luciferase

Nature communications, 2023-11, Vol.14 (1), p.7864-7864, Article 7864

2023

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Copper sulphate impact on the antioxidant defence system of the marine bivalves Cerastoderma edule and Scrobicularia plana

Scientific reports, 2019-11, Vol.9 (1), p.16458-11, Article 16458

2019

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Design, synthesis and neuroprotective evaluation of novel tacrine–benzothiazole hybrids as multi-targeted compounds against Alzheimer’s disease

Bioorganic & medicinal chemistry, 2013-08, Vol.21 (15), p.4559-4569

2013

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Screening of Natural Compounds as P-Glycoprotein Inhibitors against Multidrug Resistance

Biomedicines, 2021-03, Vol.9 (4), p.357

2021

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Engineering CYP153AM.aq to Oxyfunctionalize its Inhibitor Dodecylamine Using a LC/MS Based Rapid Flow Analysis Screening

ChemCatChem, 2022-03, Vol.14 (6), p.n/a

2022

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Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers

ACS catalysis, 2021-11, Vol.11 (21), p.12864-12885

2021

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Evolutionary Analysis As a Powerful Complement to Energy Calculations for Protein Stabilization

ACS catalysis, 2018-10, Vol.8 (10), p.9420-9428

2018

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Mechanism-Based Strategy for Optimizing HaloTag Protein Labeling

JACS Au, 2022-06, Vol.2 (6), p.1324-1337

2022

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Impacts of wildfires in aquatic organisms: biomarker responses and erythrocyte nuclear abnormalities in Gambusia holbrooki exposed in situ

Environmental science and pollution research international, 2021-10, Vol.28 (37), p.51733-51744

2021

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Multifunctional iron-chelators with protective roles against neurodegenerative diseases

Dalton transactions : an international journal of inorganic chemistry, 2013-05, Vol.42 (17), p.6058-6073

2013

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Toxicity and organic content characterization of olive oil mill wastewater undergoing a sequential treatment with fungi and photo-Fenton oxidation

Journal of hazardous materials, 2009-12, Vol.172 (2), p.1560-1572

2009

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NMDA Receptor Opening and Closing-Transitions of a Molecular Machine Revealed by Molecular Dynamics

Biomolecules (Basel, Switzerland), 2019-09, Vol.9 (10), p.546

2019

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Evaluation of growth, biochemical and bioaccumulation parameters in Pelophylax perezi tadpoles, following an in-situ acute exposure to three different effluent ponds from a uranium mine

The Science of the total environment, 2013-02, Vol.445-446, p.321-328

2013

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CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories

Transgenerational Inheritance of DNA Hypomethylation in Daphnia magna in Response to Salinity Stress

Computational design of enzymes for biotechnological applications

Catalytic Cycle of Haloalkane Dehalogenases Toward Unnatural Substrates Explored by Computational Modeling

Advancing Enzyme’s Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning

Atypical homodimerization revealed by the structure of the ( S )-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum

Synthesizing the role of epigenetics in the response and adaptation of species to climate change in freshwater ecosystems

Impact of the access tunnel engineering on catalysis is strictly ligand‐specific

Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst

Effects of Eucalypt ashes from moderate and high severity wildfires on the skin microbiome of the Iberian frog (Rana iberica)

Computational Study of Protein-Ligand Unbinding for Enzyme Engineering

InVADo: Interactive Visual Analysis of Molecular Docking Data

Illuminating the mechanism and allosteric behavior of NanoLuc luciferase

Copper sulphate impact on the antioxidant defence system of the marine bivalves Cerastoderma edule and Scrobicularia plana

Design, synthesis and neuroprotective evaluation of novel tacrine–benzothiazole hybrids as multi-targeted compounds against Alzheimer’s disease

Screening of Natural Compounds as P-Glycoprotein Inhibitors against Multidrug Resistance

Engineering CYP153AM.aq to Oxyfunctionalize its Inhibitor Dodecylamine Using a LC/MS Based Rapid Flow Analysis Screening

Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers

Evolutionary Analysis As a Powerful Complement to Energy Calculations for Protein Stabilization

Mechanism-Based Strategy for Optimizing HaloTag Protein Labeling

Impacts of wildfires in aquatic organisms: biomarker responses and erythrocyte nuclear abnormalities in Gambusia holbrooki exposed in situ

Multifunctional iron-chelators with protective roles against neurodegenerative diseases

Toxicity and organic content characterization of olive oil mill wastewater undergoing a sequential treatment with fungi and photo-Fenton oxidation

NMDA Receptor Opening and Closing-Transitions of a Molecular Machine Revealed by Molecular Dynamics

Evaluation of growth, biochemical and bioaccumulation parameters in Pelophylax perezi tadpoles, following an in-situ acute exposure to three different effluent ponds from a uranium mine

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