Sérgio Manuel Marques, PhD.

2022

• Mechanism-Based Strategy for Optimizing HaloTag Protein Labeling

  MARQUES Sérgio Manuel SLÁNSKÁ Michaela CHMELOVÁ Klaudia CHALOUPKOVÁ Radka MAREK Martin CLARK Spencer DAMBORSKÝ Jiří KOOL Eric T. BEDNÁŘ David PROKOP Zbyněk

  Article in Periodical

  JACS AU, year: 2022, volume: 2, edition: 6, DOI

• Tools for computational design and high-throughput screening of therapeutic enzymes

  VAŠINA Michal VELECKÝ Jan PLANAS IGLESIAS Joan MARQUES Sérgio Manuel ŠKAŘUPOVÁ Jana DAMBORSKÝ Jiří BEDNÁŘ David MAZURENKO Stanislav PROKOP Zbyněk

  Article in Periodical

  ADVANCED DRUG DELIVERY REVIEWS, year: 2022, volume: 183, edition: April 2022, DOI

2021

• Computational design of enzymes for biotechnological applications

  PLANAS IGLESIAS Joan MARQUES Sérgio Manuel RANGEL PAMPLONA PIZARRO PINTO José Gaspar MUSIL Miloš ŠTOURAČ Jan DAMBORSKÝ Jiří BEDNÁŘ David

  Article in Periodical

  Biotechnology Advances, year: 2021, volume: 47, edition: March–April, DOI

• Computational enzyme design for metabolic engineering

  DAMBORSKÝ Jiří BEDNÁŘ David PROKOP Zbyněk MAREK Martin MAZURENKO Stanislav ŠTOURAČ Jan MARQUES Sérgio Manuel FONSECA PINTO Gabriela Filipa PLANAS IGLESIAS Joan MUSIL Miloš HON Jiří VÁVRA Ondřej KHAN Rayyan Tariq FILIPOVIČ Jiří KOZLÍKOVÁ Barbora

  Conference abstract

  Year: 2021, type: Conference abstract

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

  MARKOVÁ Klára KUNKA Antonín CHMELOVÁ Klaudia HAVLÁSEK Martin BABKOVÁ Petra MARQUES Sérgio Manuel VAŠINA Michal PLANAS IGLESIAS Joan CHALOUPKOVÁ Radka BEDNÁŘ David PROKOP Zbyněk DAMBORSKÝ Jiří MAREK Martin

  Article in Periodical

  ACS Catalysis, year: 2021, volume: 11, edition: 21, DOI

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

  MARQUES Sérgio Manuel ŠUPOLÍKOVÁ Lucie MOLČANOVÁ Lenka ŠMEJKAL Karel BEDNÁŘ David SLANINOVÁ Iva

  Article in Periodical

  BIOMEDICINES, year: 2021, volume: 9, edition: 4, DOI

• Screening of world approved drugs against highly dynamical spike glycoprotein of SARS-CoV-2 using CaverDock and machine learning

  RANGEL PAMPLONA PIZARRO PINTO José Gaspar VÁVRA Ondřej MARQUES Sérgio Manuel FILIPOVIČ Jiří BEDNÁŘ David DAMBORSKÝ Jiří

  Article in Periodical

  Computational and Structural Biotechnology Journal, year: 2021, volume: 19, edition: May, DOI

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

  RAPP Lea R. MARQUES Sérgio Manuel ZUKIC Erna ROWLINSON Benjamin SHARMA Mahima GROGAN Gideon DAMBORSKÝ Jiří HAUER Bernhard

  Article in Periodical

  ACS Catalysis, year: 2021, volume: 11, edition: 5, DOI

• Web-based tools for computational enzyme design

  MARQUES Sérgio Manuel PLANAS IGLESIAS Joan DAMBORSKÝ Jiří

  Article in Periodical

  Current Opinion in Structural Biology, year: 2021, volume: 69, edition: August 2021, DOI

2020

• CaverDock: A Novel Method for the Fast Analysis of Ligand Transport

  FILIPOVIČ Jiří VÁVRA Ondřej PLHÁK Jan BEDNÁŘ David MARQUES Sérgio Manuel BREZOVSKÝ Jan MATYSKA Luděk DAMBORSKÝ Jiří

  Article in Periodical

  IEEE/ACM Transactions on Computational Biology and Bioinformatics, year: 2020, volume: 17, edition: 5, DOI