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Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate

Molecular neurodegeneration, 2023-06, Vol.18 (1), p.38-38, Article 38

2023

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CoVAMPnet: Comparative Markov State Analysis for Studying Effects of Drug Candidates on Disordered Biomolecules

JACS Au, 2024-06, Vol.4 (6), p.2228-2245

2024

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Web-based tools for computational enzyme design

Current opinion in structural biology, 2021-08, Vol.69, p.19-34

2021

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New tris-3,4-HOPO lanthanide complexes as potential imaging probes: complex stability and magnetic properties

Dalton transactions : an international journal of inorganic chemistry, 2013-05, Vol.42 (17), p.6046-6057

2013

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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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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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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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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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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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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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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 (Pt 11), p.956-970

2023

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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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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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Computational Study of Protein-Ligand Unbinding for Enzyme Engineering

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

2019

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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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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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A short-term exposure to saxitoxin triggers a multitude of deleterious effects in Daphnia magna at levels deemed safe for human health

The Science of the total environment, 2024-11, Vol.951, p.175431, Article 175431

2024

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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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Effects of a herbicide and copper mixture on the quality of marine plankton

Ecotoxicology and environmental safety, 2018-07, Vol.156, p.9-17

2018

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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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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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Substrate Anchoring and Flexibility Reduction in CYP153A M.aq Leads to Highly Improved Efficiency toward Octanoic Acid

ACS catalysis, 2021-03, Vol.11 (5), p.3182-3189

2021

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Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate

CoVAMPnet: Comparative Markov State Analysis for Studying Effects of Drug Candidates on Disordered Biomolecules

Web-based tools for computational enzyme design

New tris-3,4-HOPO lanthanide complexes as potential imaging probes: complex stability and magnetic properties

Computational design of enzymes for biotechnological applications

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

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

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

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

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

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

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

Illuminating the mechanism and allosteric behavior of NanoLuc luciferase

Computational Study of Protein-Ligand Unbinding for Enzyme Engineering

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

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

A short-term exposure to saxitoxin triggers a multitude of deleterious effects in Daphnia magna at levels deemed safe for human health

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

Effects of a herbicide and copper mixture on the quality of marine plankton

InVADo: Interactive Visual Analysis of Molecular Docking Data

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

Substrate Anchoring and Flexibility Reduction in CYP153A M.aq Leads to Highly Improved Efficiency toward Octanoic Acid

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