Sérgio Manuel Marques, PhD.
Researcher III, Loschmidt Laboratories
E‑mail: | |
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Web: | https://smarques.weebly.com/ |
Total number of publications: 30
2024
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InVADo: Interactive Visual Analysis of Molecular Docking Data
IEEE Transactions on Visualization and Computer Graphics, year: 2024, volume: 30, edition: 4, DOI
2023
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Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning
ACS Catalysis, year: 2023, volume: 13, edition: 19, DOI
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Atypical homodimerization revealed by the structure of the (S)-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum
Acta Crystallographica Section D: Structural Biology, year: 2023, volume: 79, edition: November, DOI
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Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer’s Disease drug candidate
Molecular Neurodegeneration, year: 2023, volume: 18, edition: 1, DOI
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Illuminating the mechanism and allosteric behavior of NanoLuc luciferase
Nature Communications, year: 2023, volume: 14, edition: 1, DOI
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sMolBoxes: Dataflow Model for Molecular Dynamics Exploration
IEEE Transactions on Visualization and Computer Graphics, year: 2023, volume: 29, edition: 1, DOI
2022
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Engineering CYP153A(M.aq) to Oxyfunctionalize its Inhibitor Dodecylamine Using a LC/MS Based Rapid Flow Analysis Screening
ChemCatChem, year: 2022, volume: 14, edition: 6, DOI
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Mechanism-Based Strategy for Optimizing HaloTag Protein Labeling
JACS AU, year: 2022, volume: 2, edition: 6, DOI
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Tools for computational design and high-throughput screening of therapeutic enzymes
ADVANCED DRUG DELIVERY REVIEWS, year: 2022, volume: 183, edition: April 2022, DOI
2021
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Computational design of enzymes for biotechnological applications
Biotechnology Advances, year: 2021, volume: 47, edition: March–April, DOI