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
1
TITLE: A comprehensive update of genotype-phenotype correlations in PMM2-CDG: insights from molecular and structural analyses Full Text
AUTHORS: Oliveira, Tiago; Ferraz, Ricardo; Azevedo, Luisa; Quelhas, Dulce; Carneiro, Joao ; Jaeken, Jaak; Sérgio F. Sousa ;
PUBLISHED: 2025, SOURCE: ORPHANET JOURNAL OF RARE DISEASES, VOLUME: 20, ISSUE: 1
AUTHORS: Oliveira, Tiago; Ferraz, Ricardo; Azevedo, Luisa; Quelhas, Dulce; Carneiro, Joao ; Jaeken, Jaak; Sérgio F. Sousa ;
PUBLISHED: 2025, SOURCE: ORPHANET JOURNAL OF RARE DISEASES, VOLUME: 20, ISSUE: 1
2
TITLE: Design, synthesis and biological evaluation of 2-phenylquinoxaline carbonyl piperazine derivatives as novel FASN inhibitors with anticancer activity Full Text
AUTHORS: Singh, Shailendra; Paul, Subarno; Martins, Fabio G.; Sérgio F. Sousa ; Kundu, Chanakya N.; Karthikeyan, Chandrabose; Moorthy, N. S. Hari Narayana;
PUBLISHED: 2025, SOURCE: BIOORGANIC CHEMISTRY, VOLUME: 163, PAGES: 108697
AUTHORS: Singh, Shailendra; Paul, Subarno; Martins, Fabio G.; Sérgio F. Sousa ; Kundu, Chanakya N.; Karthikeyan, Chandrabose; Moorthy, N. S. Hari Narayana;
PUBLISHED: 2025, SOURCE: BIOORGANIC CHEMISTRY, VOLUME: 163, PAGES: 108697
3
TITLE: Development of eugenol derivatives with 5-LOX inhibitory activity Full Text
AUTHORS: José Pereira Filho; Renato Pereira; Tatiana Vieira; Sérgio F. Sousa ; José A Coelho; Nuno S Pinto; Catarina M Coelho; Maria José Fernandes; Elisabete S Castanheira ; Sameiro T Gonҫalves;
PUBLISHED: 2025, SOURCE: JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, VOLUME: 40, ISSUE: 1
AUTHORS: José Pereira Filho; Renato Pereira; Tatiana Vieira; Sérgio F. Sousa ; José A Coelho; Nuno S Pinto; Catarina M Coelho; Maria José Fernandes; Elisabete S Castanheira ; Sameiro T Gonҫalves;
PUBLISHED: 2025, SOURCE: JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, VOLUME: 40, ISSUE: 1
4
TITLE: NSAIDs beyond COX: In Silico and In Vitro Insights into Acetylcholinesterase Modulation
AUTHORS: Roggero, Airam; Loyola, Pedro Mathias; Ramos da Cruz, Caroline; Santos, Willian Haniel Bezerra de Carvalho; Borges, Paloma Peixoto; Dos Santos Junior, Adeilso Bispo; Martins, Fabio; Oliveira, Marcos A.; Sérgio F. Sousa ; Toyama, Marcos H.;
PUBLISHED: 2025, SOURCE: ACS OMEGA, VOLUME: 10, ISSUE: 46, PAGES: 56617-56629
AUTHORS: Roggero, Airam; Loyola, Pedro Mathias; Ramos da Cruz, Caroline; Santos, Willian Haniel Bezerra de Carvalho; Borges, Paloma Peixoto; Dos Santos Junior, Adeilso Bispo; Martins, Fabio; Oliveira, Marcos A.; Sérgio F. Sousa ; Toyama, Marcos H.;
PUBLISHED: 2025, SOURCE: ACS OMEGA, VOLUME: 10, ISSUE: 46, PAGES: 56617-56629
5
TITLE: Advances in structure-based drug design targeting membrane protein markers in prostate cancer
AUTHORS: João Batista Silva; Diana Gomes; Sérgio F. Sousa ; Ângela Sousa; Luís Passarinha;
PUBLISHED: 2024, SOURCE: Drug Discovery Today, VOLUME: 29, ISSUE: 9
AUTHORS: João Batista Silva; Diana Gomes; Sérgio F. Sousa ; Ângela Sousa; Luís Passarinha;
PUBLISHED: 2024, SOURCE: Drug Discovery Today, VOLUME: 29, ISSUE: 9
INDEXED IN: 
Scopus
Scopus6
TITLE: Advances in structure-based drug design targeting membrane protein markers in prostate cancer Full Text
AUTHORS: Batista Silva, Joao P.; Gomes, Diana; Sérgio F. Sousa ; Sousa, Angela; Passarinha, Luis A.;
PUBLISHED: 2024, SOURCE: DRUG DISCOVERY TODAY, VOLUME: 29, ISSUE: 9, PAGES: 104130
AUTHORS: Batista Silva, Joao P.; Gomes, Diana; Sérgio F. Sousa ; Sousa, Angela; Passarinha, Luis A.;
PUBLISHED: 2024, SOURCE: DRUG DISCOVERY TODAY, VOLUME: 29, ISSUE: 9, PAGES: 104130
INDEXED IN: 
WOS 
CrossRef
WOS CrossRef7
TITLE: Colocalised Genetic Associations Reveal Alternative Splicing Variants as Candidate Causal Links for Breast Cancer Risk in 10 Loci Full Text
AUTHORS: Besouro Duarte, Andre; Carrasqueiro, Beatriz; Sousa, Sofia; Xavier, Joana M.; Maia, Ana Teresa ;
PUBLISHED: 2024, SOURCE: CANCERS, VOLUME: 16, ISSUE: 17, PAGES: 3020
AUTHORS: Besouro Duarte, Andre; Carrasqueiro, Beatriz; Sousa, Sofia; Xavier, Joana M.; Maia, Ana Teresa ;
PUBLISHED: 2024, SOURCE: CANCERS, VOLUME: 16, ISSUE: 17, PAGES: 3020
8
TITLE: Exploiting <i>Locusta migratoria</i> as a source of bioactive peptides with anti-fibrosis properties using an <i>in silico</i> approach
AUTHORS: Teixeira, Carla S. S.; Biltes, Rita; Villa, Caterina; Sérgio F. Sousa ; Costa, Joana; Ferreira, Isabel M. P. L. V. O. ; Mafra, Isabel;
PUBLISHED: 2024, SOURCE: FOOD & FUNCTION, VOLUME: 15, ISSUE: 2, PAGES: 493-502
AUTHORS: Teixeira, Carla S. S.; Biltes, Rita; Villa, Caterina; Sérgio F. Sousa ; Costa, Joana; Ferreira, Isabel M. P. L. V. O. ; Mafra, Isabel;
PUBLISHED: 2024, SOURCE: FOOD & FUNCTION, VOLUME: 15, ISSUE: 2, PAGES: 493-502
INDEXED IN: Scopus WOS
Scopus WOS9
TITLE: Exploiting Locusta migratoria as a source of bioactive peptides with anti-fibrosis properties using an in silico approach (vol 15, pg 493, 2024)
AUTHORS: Teixeira, Carla S. S.; Biltes, Rita; Villa, Caterina; Sérgio F. Sousa ; Joana Costa ; Ferreira, Isabel M. P. L. V. O. ; Mafra, Isabel;
PUBLISHED: 2024, SOURCE: FOOD & FUNCTION, VOLUME: 15, ISSUE: 5, PAGES: 2773-2773
AUTHORS: Teixeira, Carla S. S.; Biltes, Rita; Villa, Caterina; Sérgio F. Sousa ; Joana Costa ; Ferreira, Isabel M. P. L. V. O. ; Mafra, Isabel;
PUBLISHED: 2024, SOURCE: FOOD & FUNCTION, VOLUME: 15, ISSUE: 5, PAGES: 2773-2773
INDEXED IN: WOS CrossRef
WOS CrossRef10
TITLE: Heterologous expression and structure prediction of a xylanase identified from a compost metagenomic library
AUTHORS: Sousa, Joana; Santos Pereira, Catia; Gomes, Joana S.; Costa, angela M. A.; Santos, Andreia O.; Franco Duarte, Ricardo; Linhares, Joao M. M. ; Sérgio F. Sousa ; Silverio, Sara C.; Rodrigues, Ligia R. ;
PUBLISHED: 2024, SOURCE: APPLIED MICROBIOLOGY AND BIOTECHNOLOGY, VOLUME: 108, ISSUE: 1
AUTHORS: Sousa, Joana; Santos Pereira, Catia; Gomes, Joana S.; Costa, angela M. A.; Santos, Andreia O.; Franco Duarte, Ricardo; Linhares, Joao M. M. ; Sérgio F. Sousa ; Silverio, Sara C.; Rodrigues, Ligia R. ;
PUBLISHED: 2024, SOURCE: APPLIED MICROBIOLOGY AND BIOTECHNOLOGY, VOLUME: 108, ISSUE: 1
11
TITLE: Identification of candidate causal variants and target genes at 41 breast cancer risk loci through differential allelic expression analysis Full Text
AUTHORS: Xavier, Joana M.; Magno, Ramiro; Russell, Roslin; de Almeida, Bernardo P.; Jacinta Fernandes, Ana; Besouro Duarte, Andre; Dunning, Mark; Samarajiwa, Shamith; O'Reilly, Martin; Maia, Antonio M.; Rocha, Catia L.; Rosli, Nordiana; Ponder, Bruce A. J.; Maia, Ana Teresa ;
PUBLISHED: 2024, SOURCE: SCIENTIFIC REPORTS, VOLUME: 14, ISSUE: 1
AUTHORS: Xavier, Joana M.; Magno, Ramiro; Russell, Roslin; de Almeida, Bernardo P.; Jacinta Fernandes, Ana; Besouro Duarte, Andre; Dunning, Mark; Samarajiwa, Shamith; O'Reilly, Martin; Maia, Antonio M.; Rocha, Catia L.; Rosli, Nordiana; Ponder, Bruce A. J.; Maia, Ana Teresa ;
PUBLISHED: 2024, SOURCE: SCIENTIFIC REPORTS, VOLUME: 14, ISSUE: 1
12
TITLE: In silico identification of novel PqsD inhibitors: promising molecules for quorum sensing interference in Pseudomonas aeruginosa
AUTHORS: Vieira, Tatiana F.; Cerqueira, Nuno M. F. S. A. ; Simoes, Manuel ; Sérgio F. Sousa ;
PUBLISHED: 2024, SOURCE: MOLECULAR SYSTEMS DESIGN & ENGINEERING, VOLUME: 9, ISSUE: 1, PAGES: 7-19
AUTHORS: Vieira, Tatiana F.; Cerqueira, Nuno M. F. S. A. ; Simoes, Manuel ; Sérgio F. Sousa ;
PUBLISHED: 2024, SOURCE: MOLECULAR SYSTEMS DESIGN & ENGINEERING, VOLUME: 9, ISSUE: 1, PAGES: 7-19
13
TITLE: In silico-guided discovery and in vitro validation of novel sugar-tethered lysinated carbon nanotubes for targeted drug delivery of doxorubicin
AUTHORS: Thakur, Chanchal Kiran; Martins, Fabio G.; Karthikeyan, Chandrabose; Bhal, Subhasmita; Kundu, Chanakya Nath; Moorthy, N. S. Hari Narayana; Sérgio F. Sousa ;
PUBLISHED: 2024, SOURCE: JOURNAL OF MOLECULAR MODELING, VOLUME: 30, ISSUE: 8
AUTHORS: Thakur, Chanchal Kiran; Martins, Fabio G.; Karthikeyan, Chandrabose; Bhal, Subhasmita; Kundu, Chanakya Nath; Moorthy, N. S. Hari Narayana; Sérgio F. Sousa ;
PUBLISHED: 2024, SOURCE: JOURNAL OF MOLECULAR MODELING, VOLUME: 30, ISSUE: 8
14
TITLE: Protocol for in silico characterization of natural-based molecules as quorum-sensing inhibitors
AUTHORS: Fernandes, Susana; Sousa, Mariana; Martins, Fabio G.; Simoes, Manuel ; Sérgio F. Sousa ;
PUBLISHED: 2024, SOURCE: STAR PROTOCOLS, VOLUME: 5, ISSUE: 4, PAGES: 103367
AUTHORS: Fernandes, Susana; Sousa, Mariana; Martins, Fabio G.; Simoes, Manuel ; Sérgio F. Sousa ;
PUBLISHED: 2024, SOURCE: STAR PROTOCOLS, VOLUME: 5, ISSUE: 4, PAGES: 103367
15
TITLE: Revisiting the Algar-Flynn-Oyamada (AFO) Reaction Mechanism: Computational and other Studies
AUTHORS: Carla Teixeira; Sérgio F. Sousa ; Anthony J Burke;
PUBLISHED: 2024
AUTHORS: Carla Teixeira; Sérgio F. Sousa ; Anthony J Burke;
PUBLISHED: 2024
INDEXED IN: CrossRef
CrossRef16
TITLE: Structural insights of an LCP protein-LytR-from Streptococcus dysgalactiae subs. dysgalactiae through biophysical and in silico methods
AUTHORS: Paquete Ferreira, Joao; Freire, Filipe; Fernandes, Henrique S.; Muthukumaran, Jayaraman; Ramos, Joao; Bryton, Joana; Panjkovich, Alejandro; Svergun, Dmitri; Santos, Marino F. A.; Correia, Marcia A. S.; Fernandes, Alexandra R.; Romao, Maria Joao; Sérgio F. Sousa ; Santos Silva, Teresa;
PUBLISHED: 2024, SOURCE: FRONTIERS IN CHEMISTRY, VOLUME: 12
AUTHORS: Paquete Ferreira, Joao; Freire, Filipe; Fernandes, Henrique S.; Muthukumaran, Jayaraman; Ramos, Joao; Bryton, Joana; Panjkovich, Alejandro; Svergun, Dmitri; Santos, Marino F. A.; Correia, Marcia A. S.; Fernandes, Alexandra R.; Romao, Maria Joao; Sérgio F. Sousa ; Santos Silva, Teresa;
PUBLISHED: 2024, SOURCE: FRONTIERS IN CHEMISTRY, VOLUME: 12
17
TITLE: The association between TNFRSF1B rs1061624 polymorphism and hypertension in end-stage kidney disease patients on dialysis
AUTHORS: Coimbra, Susana; Rocha, Susana; Catarino, Cristina; Joao Valente, Maria; Rocha Pereira, Petronila; Do Sameiro Faria, Maria; Gerardo Oliveira, Jose ; Fernandes, Joao; Miranda, Vasco M. P.; Belo, Luis; Bronze Da Rocha, Elsa; Santos Silva, Alice;
PUBLISHED: 2024, SOURCE: 61st Congress of European-Renal-Association (ERA) in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 39, ISSUE: Supplement_1
AUTHORS: Coimbra, Susana; Rocha, Susana; Catarino, Cristina; Joao Valente, Maria; Rocha Pereira, Petronila; Do Sameiro Faria, Maria; Gerardo Oliveira, Jose ; Fernandes, Joao; Miranda, Vasco M. P.; Belo, Luis; Bronze Da Rocha, Elsa; Santos Silva, Alice;
PUBLISHED: 2024, SOURCE: 61st Congress of European-Renal-Association (ERA) in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 39, ISSUE: Supplement_1
INDEXED IN: WOS CrossRef
WOS CrossRef18
TITLE: The fungicide cymoxanil impairs respiration in Saccharomyces cerevisiae via cytochrome c oxidase inhibition
AUTHORS: Mendes, Filipa; Santos Pereira, Catia; Vieira, Tatiana F.; Martins Pinto, Melanie; Castro, Bruno B. ; Sérgio F. Sousa ; Sousa, Maria Joao ; Devin, Anne; Chaves, Susana R.;
PUBLISHED: 2024, SOURCE: FEBS LETTERS, VOLUME: 598, ISSUE: 13, PAGES: 1655-1666
AUTHORS: Mendes, Filipa; Santos Pereira, Catia; Vieira, Tatiana F.; Martins Pinto, Melanie; Castro, Bruno B. ; Sérgio F. Sousa ; Sousa, Maria Joao ; Devin, Anne; Chaves, Susana R.;
PUBLISHED: 2024, SOURCE: FEBS LETTERS, VOLUME: 598, ISSUE: 13, PAGES: 1655-1666
19
TITLE: A pleiotropic variant in <i>DNAJB4</i> is associated with multiple myeloma risk Full Text
AUTHORS: Dicanio, Marco; Giaccherini, Matteo; Clay Gilmour, Alyssa; Macauda, Angelica; Sainz, Juan; Machiela, Mitchell J.; Rybicka Ramos, Malwina; Norman, Aaron D.; Tyczynska, Agata; Chanock, Stephen J.; Barington, Torben; Kumar, Shaji K.; Bhatti, Parveen; Cozen, Wendy; Brown, Elizabeth E.; Suska, Anna; Haastrup, Eva K.; Orlowski, Robert Z.; Dudzinski, Marek; Garcia Sanz, Ramon; ...More
PUBLISHED: 2023, SOURCE: INTERNATIONAL JOURNAL OF CANCER, VOLUME: 152, ISSUE: 2, PAGES: 239-248
AUTHORS: Dicanio, Marco; Giaccherini, Matteo; Clay Gilmour, Alyssa; Macauda, Angelica; Sainz, Juan; Machiela, Mitchell J.; Rybicka Ramos, Malwina; Norman, Aaron D.; Tyczynska, Agata; Chanock, Stephen J.; Barington, Torben; Kumar, Shaji K.; Bhatti, Parveen; Cozen, Wendy; Brown, Elizabeth E.; Suska, Anna; Haastrup, Eva K.; Orlowski, Robert Z.; Dudzinski, Marek; Garcia Sanz, Ramon; ...More
PUBLISHED: 2023, SOURCE: INTERNATIONAL JOURNAL OF CANCER, VOLUME: 152, ISSUE: 2, PAGES: 239-248
INDEXED IN: Scopus WOS
Scopus WOS20
TITLE: A review on the effects of cracking and crack width on corrosion of reinforcement in concrete
AUTHORS: Kanavaris, Fragkoulis; Coelho, Mario; Ferreira, Nuno ; Azenha, Miguel ; Andrade, Carmen ;
PUBLISHED: 2023, SOURCE: STRUCTURAL CONCRETE, VOLUME: 24, ISSUE: 6, PAGES: 7272-7294
AUTHORS: Kanavaris, Fragkoulis; Coelho, Mario; Ferreira, Nuno ; Azenha, Miguel ; Andrade, Carmen ;
PUBLISHED: 2023, SOURCE: STRUCTURAL CONCRETE, VOLUME: 24, ISSUE: 6, PAGES: 7272-7294
