Biomolecular Simulation (BioSIM)
Center for Health Technology and Services Research (CINTESIS) :: Clinical and Translational Research
AuthID: I-000-B6D
Publications Actions
Publications at Authenticus Institutional Profile
An Authenticus institution (group) is an organization which consists of a set of researchers (institutional/group team). The set of researchers depends on the organizational structure of the institution per year and can be set at the institution profile, under ‘Researchers’ interface. Based on the institutional team we produce listings of publications, statistics and institutional reports.
Publications displayed at an Authenticus institutional profile depend on two parameters:
- Researchers team associated with the institution per year.
- Publications source type.
We define 3 types of publication sources:
- Validated by team members - includes all publications validated by team members. Requires the definition of the institutional team.
- All published by team members - includes all publications validated by the institution team members plus all not-validated (only identified) publications. Requires the definition of the institutional team.
- Affiliation Based - includes publications that have the institution/group in the publication affiliation. Does not require institutional team, but at the same time does not guarantee that all publications will be listed.
External
Internal
No data about last update.
Rules:
This actions updates publications citations of every team member.
Only validated by team members publications are included.
Only the current year team is included in this action.>
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a month!
Only validated by team members publications are included.
Only the current year team is included in this action.>
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a month!
No data about last update.
Rules:
This actions updates all pre print publications of the group/institution.
Only validated by current year team members publications are included.
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a day!
Only validated by current year team members publications are included.
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a day!
Publications Count: 436
8 Team MembersFilters -> Year: 2026
62
TITLE: Selection of Bis-Indolyl Pyridines and Triphenylamines as New Inhibitors of SARS-CoV-2 Cellular Entry by Modulating the Spike Protein/ACE2 Interfaces
AUTHORS: Lapaillerie, Delphine; Charlier, Cathy; Guyonnet Duperat, Veronique; Murigneux, Emilie; Fernandes, Henrique S.; Martins, Fabio G.; Magalhaes, Rita P.; Vieira, Tatiana F.; Richetta, Clemente; Subra, Frederic; Lebourgeois, Samuel; Charpentier, Charlotte; Descamps, Diane; Visseaux, Benoit; Weigel, Pierre; Favereaux, Alexandre; Beauvineau, Claire; Buron, Frederic; Teulade Fichou, Marie Paule; Routier, Sylvain; ...More
PUBLISHED: 2022, SOURCE: ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, VOLUME: 66, ISSUE: 8
AUTHORS: Lapaillerie, Delphine; Charlier, Cathy; Guyonnet Duperat, Veronique; Murigneux, Emilie; Fernandes, Henrique S.; Martins, Fabio G.; Magalhaes, Rita P.; Vieira, Tatiana F.; Richetta, Clemente; Subra, Frederic; Lebourgeois, Samuel; Charpentier, Charlotte; Descamps, Diane; Visseaux, Benoit; Weigel, Pierre; Favereaux, Alexandre; Beauvineau, Claire; Buron, Frederic; Teulade Fichou, Marie Paule; Routier, Sylvain; ...More
PUBLISHED: 2022, SOURCE: ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, VOLUME: 66, ISSUE: 8
63
TITLE: Special Issue on Enzymes as Biocatalysts: Current Research Trends and Applications Full Text
AUTHORS: Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 23, ISSUE: 24, PAGES: 16209
AUTHORS: Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 23, ISSUE: 24, PAGES: 16209
64
TITLE: Study of the anticancer potential of Cd complexes of selenazoyl-hydrazones and their sulfur isosters Full Text
AUTHORS: Marković, SB; Maciejewska, N; Olszewski, M; Višnjevac, A; Puerta, A; Padrón, JM; Novaković, I; Kojić, S; Fernandes, HS; Sérgio F. Sousa ; Ramotowska, S; Chylewska, A; Makowski, M; Todorović, TR; Filipović, NR;
PUBLISHED: 2022, SOURCE: European Journal of Medicinal Chemistry, VOLUME: 238, PAGES: 114449
AUTHORS: Marković, SB; Maciejewska, N; Olszewski, M; Višnjevac, A; Puerta, A; Padrón, JM; Novaković, I; Kojić, S; Fernandes, HS; Sérgio F. Sousa ; Ramotowska, S; Chylewska, A; Makowski, M; Todorović, TR; Filipović, NR;
PUBLISHED: 2022, SOURCE: European Journal of Medicinal Chemistry, VOLUME: 238, PAGES: 114449
65
TITLE: Synthesis, computational and nanoencapsulation studies on eugenol-derived insecticides Full Text
AUTHORS: Coelho, Catarina M. M.; Renato B. Pereira ; Vieira, Tatiana F.; TEIXEIRA, CLÁUDIA; Fernandes, Maria Jose G.; Rodrigues, Ana Rita O.; Pereira, David M. ; Sérgio F. Sousa ; Gil Fortes, A.; Castanheira, Elisabete M. S. ; T. Goncalves, M. Sameiro;
PUBLISHED: 2022, SOURCE: NEW JOURNAL OF CHEMISTRY, VOLUME: 46, ISSUE: 30, PAGES: 14375-14387
AUTHORS: Coelho, Catarina M. M.; Renato B. Pereira ; Vieira, Tatiana F.; TEIXEIRA, CLÁUDIA; Fernandes, Maria Jose G.; Rodrigues, Ana Rita O.; Pereira, David M. ; Sérgio F. Sousa ; Gil Fortes, A.; Castanheira, Elisabete M. S. ; T. Goncalves, M. Sameiro;
PUBLISHED: 2022, SOURCE: NEW JOURNAL OF CHEMISTRY, VOLUME: 46, ISSUE: 30, PAGES: 14375-14387
66
TITLE: Synthesis, Insecticidal Activity and Computational Studies of Eugenol-Based Insecticides
AUTHORS: José Ricardo A Coelho; Tatiana F Vieira; Renato B. Pereira ; David M Pereira; Elisabete M S Castanheira ; António Gil Fortes; Sérgio F. Sousa ; Maria José G Fernandes; Maria Sameiro T Gonçalves;
PUBLISHED: 2022, SOURCE: The 26th International Electronic Conference on Synthetic Organic Chemistry
AUTHORS: José Ricardo A Coelho; Tatiana F Vieira; Renato B. Pereira ; David M Pereira; Elisabete M S Castanheira ; António Gil Fortes; Sérgio F. Sousa ; Maria José G Fernandes; Maria Sameiro T Gonçalves;
PUBLISHED: 2022, SOURCE: The 26th International Electronic Conference on Synthetic Organic Chemistry
INDEXED IN: 
CrossRef
CrossRef67
TITLE: Targeting <i>Pseudomonas aeruginosa</i> MvfR in the battle against biofilm formation: a multi-level computational approach
AUTHORS: Vieira, Tatiana F.; Magalhaes, Rita P.; Cerqueira, Nuno M. F. S. A.; Simoes, Manuel ; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: MOLECULAR SYSTEMS DESIGN & ENGINEERING, VOLUME: 7, ISSUE: 10, PAGES: 1294-1306
AUTHORS: Vieira, Tatiana F.; Magalhaes, Rita P.; Cerqueira, Nuno M. F. S. A.; Simoes, Manuel ; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: MOLECULAR SYSTEMS DESIGN & ENGINEERING, VOLUME: 7, ISSUE: 10, PAGES: 1294-1306
68
TITLE: The Catalytic Mechanism of Pdx2 Glutaminase Driven by a Cys-His-Glu Triad: A Computational Study Full Text
AUTHORS: Pina, AF; Sérgio F. Sousa ; Cerqueira, NMFSA;
PUBLISHED: 2022, SOURCE: CHEMBIOCHEM, VOLUME: 23, ISSUE: 9
AUTHORS: Pina, AF; Sérgio F. Sousa ; Cerqueira, NMFSA;
PUBLISHED: 2022, SOURCE: CHEMBIOCHEM, VOLUME: 23, ISSUE: 9
69
TITLE: The critical role of Asp206 stabilizing residues on the catalytic mechanism of the <i>Ideonella sakaiensis</i> PETase
AUTHORS: Magalhaes, Rita P.; Fernandes, Henrique S.; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: CATALYSIS SCIENCE & TECHNOLOGY, VOLUME: 12, ISSUE: 11, PAGES: 3474-3483
AUTHORS: Magalhaes, Rita P.; Fernandes, Henrique S.; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: CATALYSIS SCIENCE & TECHNOLOGY, VOLUME: 12, ISSUE: 11, PAGES: 3474-3483
INDEXED IN: 
WOS
WOS70
TITLE: The critical role of Asp206 stabilizing residues on the catalytic mechanism of the Ideonella sakaiensis PETase
AUTHORS: Rita P Magalhães; Henrique S Fernandes; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: Catalysis Science and Technology, VOLUME: 12, ISSUE: 11, PAGES: 3474-3483
AUTHORS: Rita P Magalhães; Henrique S Fernandes; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: Catalysis Science and Technology, VOLUME: 12, ISSUE: 11, PAGES: 3474-3483
71
TITLE: Transformation of a Chiral Glycolic Acid to an Isoaurone: Stereochemical Assignment of a Benzilic Acid Rearrangment Product Full Text
AUTHORS: Burke, AJ; Teixeira, CSS; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: ASIAN JOURNAL OF ORGANIC CHEMISTRY, VOLUME: 11, ISSUE: 4
AUTHORS: Burke, AJ; Teixeira, CSS; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: ASIAN JOURNAL OF ORGANIC CHEMISTRY, VOLUME: 11, ISSUE: 4
72
TITLE: Zn(ii) complexes with thiazolyl-hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity Full Text
AUTHORS: Jovana B Araškov; Aleksandar Višnjevac; Jasminka Popović; Vladimir Blagojević; Henrique S Fernandes; Sérgio F. Sousa ; Irena Novaković; José M Padrón; Berta Barta Holló; Miguel Monge; María Rodríguez Castillo; José M López De Luzuriaga; Nenad R Filipović; Tamara R Todorović;
PUBLISHED: 2022, SOURCE: CrystEngComm, VOLUME: 24, ISSUE: 29, PAGES: 5194-5214
AUTHORS: Jovana B Araškov; Aleksandar Višnjevac; Jasminka Popović; Vladimir Blagojević; Henrique S Fernandes; Sérgio F. Sousa ; Irena Novaković; José M Padrón; Berta Barta Holló; Miguel Monge; María Rodríguez Castillo; José M López De Luzuriaga; Nenad R Filipović; Tamara R Todorović;
PUBLISHED: 2022, SOURCE: CrystEngComm, VOLUME: 24, ISSUE: 29, PAGES: 5194-5214
73
TITLE: A beta(31-35) Decreases Neprilysin-Mediated Alzheimer's Amyloid-beta Peptide Degradation
AUTHORS: Leite, JP; Lete, MG; Fowler, SB; Gimeno, A; Rocha, JF; Sérgio F. Sousa ; Webster, CI; Jimenez Bar Bero, JJ; Gales, L ;
PUBLISHED: 2021, SOURCE: ACS CHEMICAL NEUROSCIENCE, VOLUME: 12, ISSUE: 19, PAGES: 3708-3718
AUTHORS: Leite, JP; Lete, MG; Fowler, SB; Gimeno, A; Rocha, JF; Sérgio F. Sousa ; Webster, CI; Jimenez Bar Bero, JJ; Gales, L ;
PUBLISHED: 2021, SOURCE: ACS CHEMICAL NEUROSCIENCE, VOLUME: 12, ISSUE: 19, PAGES: 3708-3718
74
TITLE: A QM/MM Evaluation of the Missing Step in the Reduction Mechanism of HMG-CoA by Human HMG-CoA Reductase
AUTHORS: Mihaljevic Juric, P; Sérgio F. Sousa ;
PUBLISHED: 2021, SOURCE: PROCESSES, VOLUME: 9, ISSUE: 7, PAGES: 1085
AUTHORS: Mihaljevic Juric, P; Sérgio F. Sousa ;
PUBLISHED: 2021, SOURCE: PROCESSES, VOLUME: 9, ISSUE: 7, PAGES: 1085
75
TITLE: Alkaline phosphatase dual-binding sites for collagen dictate cell migration and microvessel assembly in vitro Full Text
AUTHORS: Guerreiro, SG ; Unger, RE; Cerqueira, NMFSA ; Sartoris, A; Martins, MJ ; Barbosa, MA; Soares, R ; Granja, PL; Kirkpatrick, CJ;
PUBLISHED: 2021, SOURCE: JOURNAL OF CELLULAR BIOCHEMISTRY, VOLUME: 122, ISSUE: 1, PAGES: 116-129
AUTHORS: Guerreiro, SG ; Unger, RE; Cerqueira, NMFSA ; Sartoris, A; Martins, MJ ; Barbosa, MA; Soares, R ; Granja, PL; Kirkpatrick, CJ;
PUBLISHED: 2021, SOURCE: JOURNAL OF CELLULAR BIOCHEMISTRY, VOLUME: 122, ISSUE: 1, PAGES: 116-129
76
TITLE: Amino Alcohols from Eugenol as Potential Semisynthetic Insecticides: Chemical, Biological, and Computational Insights Full Text
AUTHORS: Renato B. Pereira ; Pinto, NFS; Fernandes, MJG; Vieira, TF; Rodrigues, ARO; Pereira, DM ; Sérgio F. Sousa ; Castanheira, EMS ; Fortes, AG; Goncalves, MST;
PUBLISHED: 2021, SOURCE: MOLECULES, VOLUME: 26, ISSUE: 21, PAGES: 6616
AUTHORS: Renato B. Pereira ; Pinto, NFS; Fernandes, MJG; Vieira, TF; Rodrigues, ARO; Pereira, DM ; Sérgio F. Sousa ; Castanheira, EMS ; Fortes, AG; Goncalves, MST;
PUBLISHED: 2021, SOURCE: MOLECULES, VOLUME: 26, ISSUE: 21, PAGES: 6616
77
TITLE: An Unsual Cys-Glu-Lys Catalytic Triad is Responsible for the Catalytic Mechanism of the Nitrilase Superfamily: A QM/MM Study on Nit2 Full Text
AUTHORS: Teixeira, CSS; Sérgio F. Sousa ; Cerqueira, NMFSA;
PUBLISHED: 2021, SOURCE: CHEMPHYSCHEM, VOLUME: 22, ISSUE: 8, PAGES: 796-804
AUTHORS: Teixeira, CSS; Sérgio F. Sousa ; Cerqueira, NMFSA;
PUBLISHED: 2021, SOURCE: CHEMPHYSCHEM, VOLUME: 22, ISSUE: 8, PAGES: 796-804
78
TITLE: Assessing the effects of PMM2 variants on protein stability Full Text
AUTHORS: Quelhas, D ; Carneiro, J ; Lopes Marques, M; Jaeken, J; Martins, E; Rocha, JF; Carla, SST; Ferreira, CR; Sérgio F. Sousa ; Azevedo, L ;
PUBLISHED: 2021, SOURCE: MOLECULAR GENETICS AND METABOLISM, VOLUME: 134, ISSUE: 4, PAGES: 344-352
AUTHORS: Quelhas, D ; Carneiro, J ; Lopes Marques, M; Jaeken, J; Martins, E; Rocha, JF; Carla, SST; Ferreira, CR; Sérgio F. Sousa ; Azevedo, L ;
PUBLISHED: 2021, SOURCE: MOLECULAR GENETICS AND METABOLISM, VOLUME: 134, ISSUE: 4, PAGES: 344-352
79
TITLE: Cell-free DNA as a marker for the outcome of end-stage renal disease patients on haemodialysis
AUTHORS: Coimbra, S ; Rocha, S; Nascimento, H; Valente, MJ; Catarino, C ; Rocha Pereira, P; Sameiro Faria, M; Oliveira, JG ; Madureira, J; Fernandes, JC; Miranda, V; Belo, L ; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Alice Santos-Silva ;
PUBLISHED: 2021, SOURCE: CLINICAL KIDNEY JOURNAL, VOLUME: 14, ISSUE: 5, PAGES: 1371-1378
AUTHORS: Coimbra, S ; Rocha, S; Nascimento, H; Valente, MJ; Catarino, C ; Rocha Pereira, P; Sameiro Faria, M; Oliveira, JG ; Madureira, J; Fernandes, JC; Miranda, V; Belo, L ; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Alice Santos-Silva ;
PUBLISHED: 2021, SOURCE: CLINICAL KIDNEY JOURNAL, VOLUME: 14, ISSUE: 5, PAGES: 1371-1378
80
TITLE: Combined in silico and in vitro studies to identify novel antidiabetic flavonoids targeting glycogen phosphorylase Full Text
AUTHORS: Bras, NF ; Neves, Rui P. P. ; Lopes, FAA; Correia, MAS; Palma, AS; Sérgio F. Sousa ; Ramos, MJ ;
PUBLISHED: 2021, SOURCE: BIOORGANIC CHEMISTRY, VOLUME: 108, PAGES: 104552
AUTHORS: Bras, NF ; Neves, Rui P. P. ; Lopes, FAA; Correia, MAS; Palma, AS; Sérgio F. Sousa ; Ramos, MJ ;
PUBLISHED: 2021, SOURCE: BIOORGANIC CHEMISTRY, VOLUME: 108, PAGES: 104552
