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: 473
8 Team MembersFilters -> Year: 2025
101
TITLE: Special Issue on "The Application of Quantum Mechanics in Reactivity of Molecules"
AUTHORS: Sérgio F. Sousa ;
PUBLISHED: 2021, SOURCE: APPLIED SCIENCES-BASEL, VOLUME: 11, ISSUE: 3, PAGES: 1-2
AUTHORS: Sérgio F. Sousa ;
PUBLISHED: 2021, SOURCE: APPLIED SCIENCES-BASEL, VOLUME: 11, ISSUE: 3, PAGES: 1-2
102
TITLE: Synthesis and In Silico Evaluation of Potential Insecticide Activity of Benzamides
AUTHORS: Miguel A F Ribeiro; Tatiana F Vieira; Maria José G Fernandes; Renato B. Pereira ; David M Pereira ; Elisabete M S Castanheira ; Gil G Fortes; Sérgio F. Sousa ; Sameiro S T Gonçalves;
PUBLISHED: 2021, SOURCE: ECSOC-25
AUTHORS: Miguel A F Ribeiro; Tatiana F Vieira; Maria José G Fernandes; Renato B. Pereira ; David M Pereira ; Elisabete M S Castanheira ; Gil G Fortes; Sérgio F. Sousa ; Sameiro S T Gonçalves;
PUBLISHED: 2021, SOURCE: ECSOC-25
INDEXED IN: 
CrossRef
CrossRef103
TITLE: The complete catalytic mechanism of xanthine oxidase: a computational study
AUTHORS: Ribeiro, PMG; Fernandes, HS ; Maia, LB; Sérgio F. Sousa ; Moura, JJG; Cerqueira, NMFSA;
PUBLISHED: 2021, SOURCE: INORGANIC CHEMISTRY FRONTIERS, VOLUME: 8, ISSUE: 2, PAGES: 405-416
AUTHORS: Ribeiro, PMG; Fernandes, HS ; Maia, LB; Sérgio F. Sousa ; Moura, JJG; Cerqueira, NMFSA;
PUBLISHED: 2021, SOURCE: INORGANIC CHEMISTRY FRONTIERS, VOLUME: 8, ISSUE: 2, PAGES: 405-416
104
TITLE: The History of Lentil (Lens culinaris subsp. culinaris) Domestication and Spread as Revealed by Genotyping-by-Sequencing of Wild and Landrace Accessions Full Text
AUTHORS: Liber, M; Duarte, I; Maia, AT ; Oliveira, HR;
PUBLISHED: 2021, SOURCE: FRONTIERS IN PLANT SCIENCE, VOLUME: 12
AUTHORS: Liber, M; Duarte, I; Maia, AT ; Oliveira, HR;
PUBLISHED: 2021, SOURCE: FRONTIERS IN PLANT SCIENCE, VOLUME: 12
105
TITLE: The milk-derived lactoferrin inhibits V-ATPase activity by targeting its V1 domain Full Text
AUTHORS: Santos Pereira, C; Rocha, JF ; Fernandes, HS ; Rodrigues, LR; Corte Real, M; Sérgio F. Sousa ;
PUBLISHED: 2021, SOURCE: INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, VOLUME: 186, PAGES: 54-70
AUTHORS: Santos Pereira, C; Rocha, JF ; Fernandes, HS ; Rodrigues, LR; Corte Real, M; Sérgio F. Sousa ;
PUBLISHED: 2021, SOURCE: INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, VOLUME: 186, PAGES: 54-70
106
TITLE: A Molecular Perspective on Sirtuin Activity
AUTHORS: Teixeira, CSS; Cerqueira, NMESA ; Gomes, P ; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: International Journal of Molecular Sciences in INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 21, ISSUE: 22, PAGES: 1-20
AUTHORS: Teixeira, CSS; Cerqueira, NMESA ; Gomes, P ; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: International Journal of Molecular Sciences in INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 21, ISSUE: 22, PAGES: 1-20
107
TITLE: Activation Free Energy, Substrate Binding Free Energy, and Enzyme Efficiency Fall in a Very Narrow Range of Values for Most Enzymes
AUTHORS: Sérgio F. Sousa ; Ana R Calixto ; Pedro Ferreira; Maria J Ramos ; Carmay Lim; Pedro A Fernandes ;
PUBLISHED: 2020, SOURCE: ACS CATALYSIS, VOLUME: 10, ISSUE: 15, PAGES: 8444-8453
AUTHORS: Sérgio F. Sousa ; Ana R Calixto ; Pedro Ferreira; Maria J Ramos ; Carmay Lim; Pedro A Fernandes ;
PUBLISHED: 2020, SOURCE: ACS CATALYSIS, VOLUME: 10, ISSUE: 15, PAGES: 8444-8453
108
TITLE: Allele-specific miRNA-binding analysis identifies candidate target genes for breast cancer risk
AUTHORS: Jacinta Fernandes, A; Xavier, JM; Magno, R; Lage, JG; Maia, AT ;
PUBLISHED: 2020, SOURCE: NPJ GENOMIC MEDICINE, VOLUME: 5, ISSUE: 1
AUTHORS: Jacinta Fernandes, A; Xavier, JM; Magno, R; Lage, JG; Maia, AT ;
PUBLISHED: 2020, SOURCE: NPJ GENOMIC MEDICINE, VOLUME: 5, ISSUE: 1
109
TITLE: An Atomic-Level Perspective of HMG-CoA-Reductase: The Target Enzyme to Treat Hypercholesterolemia Full Text
AUTHORS: Gesto, DS; Pereira, CMS; Cerqueira, NMFS ; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: MOLECULES, VOLUME: 25, ISSUE: 17, PAGES: 3891
AUTHORS: Gesto, DS; Pereira, CMS; Cerqueira, NMFS ; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: MOLECULES, VOLUME: 25, ISSUE: 17, PAGES: 3891
110
TITLE: ASSOCIATION OF LEFT VENTRICULAR HYPERTROPHY AND ADIPOCYTOKINES IN PATIENTS ON DIALYSIS
AUTHORS: Catarino, C ; Faria, MD; Nunes, JPL ; Rocha, S; Valente, MJ; Coimbra, S; Rocha Pereira, P; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Bettencourt, N; Beco, A; Marques, SHM; Oliveira, JG ; Madureira, J; Miranda, VMP; Belo, L; Santos Silva, A;
PUBLISHED: 2020, SOURCE: 57th ERA-EDTA Congress in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 35, ISSUE: Supplement_3, PAGES: 1586-1586
AUTHORS: Catarino, C ; Faria, MD; Nunes, JPL ; Rocha, S; Valente, MJ; Coimbra, S; Rocha Pereira, P; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Bettencourt, N; Beco, A; Marques, SHM; Oliveira, JG ; Madureira, J; Miranda, VMP; Belo, L; Santos Silva, A;
PUBLISHED: 2020, SOURCE: 57th ERA-EDTA Congress in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 35, ISSUE: Supplement_3, PAGES: 1586-1586
INDEXED IN: 
WOS CrossRef
WOS CrossRef111
TITLE: Benzo [a] phenoxazinium chlorides: Synthesis, antifungal activity, in silico studies and evaluation as fluorescent probes
AUTHORS: Leitao, MIPS; Raju, BR; Cerqueira, NMFSA ; Sousa, MJ ; Goncalves, MST;
PUBLISHED: 2020, SOURCE: BIOORGANIC CHEMISTRY, VOLUME: 98, PAGES: 103730
AUTHORS: Leitao, MIPS; Raju, BR; Cerqueira, NMFSA ; Sousa, MJ ; Goncalves, MST;
PUBLISHED: 2020, SOURCE: BIOORGANIC CHEMISTRY, VOLUME: 98, PAGES: 103730
112
TITLE: Catalytic Mechanism of Human Aldehyde Oxidase
AUTHORS: Ferreira, P; Cerqueira, NMFSA ; Fernandes, PA ; Romao, MJ; Ramos, MJ ;
PUBLISHED: 2020, SOURCE: ACS CATALYSIS, VOLUME: 10, ISSUE: 16, PAGES: 9276-9286
AUTHORS: Ferreira, P; Cerqueira, NMFSA ; Fernandes, PA ; Romao, MJ; Ramos, MJ ;
PUBLISHED: 2020, SOURCE: ACS CATALYSIS, VOLUME: 10, ISSUE: 16, PAGES: 9276-9286
113
TITLE: DIURETIC USE IN HEMODIALYSIS PATIENTS: BENEFIC ASSOCIATION WITH RESIDUAL RENAL FUNCTION AND ALL-CAUSE MORTALITY
AUTHORS: Faria, MD; Valente, MJ; Rocha, S; Coimbra, S; Catarino, C ; Rocha Pereira, P; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Oliveira, JG ; Madureira, J; Fernandes, JC; Miranda, VMP; Belo, L; Santos Silva, A;
PUBLISHED: 2020, SOURCE: 57th ERA-EDTA Congress in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 35, ISSUE: Supplement_3, PAGES: 1847-1847
AUTHORS: Faria, MD; Valente, MJ; Rocha, S; Coimbra, S; Catarino, C ; Rocha Pereira, P; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Oliveira, JG ; Madureira, J; Fernandes, JC; Miranda, VMP; Belo, L; Santos Silva, A;
PUBLISHED: 2020, SOURCE: 57th ERA-EDTA Congress in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 35, ISSUE: Supplement_3, PAGES: 1847-1847
INDEXED IN: WOS CrossRef
WOS CrossRef114
TITLE: Editorial: The Chemistry of Biofilms and Their Inhibitors
AUTHORS: Sérgio F. Sousa ; Simoes, M ; Filipovic, N;
PUBLISHED: 2020, SOURCE: FRONTIERS IN CHEMISTRY, VOLUME: 8
AUTHORS: Sérgio F. Sousa ; Simoes, M ; Filipovic, N;
PUBLISHED: 2020, SOURCE: FRONTIERS IN CHEMISTRY, VOLUME: 8
115
TITLE: Epicardial adipose tissue volume and annexin A2/fetuin-A signalling are linked to coronary calcification in advanced coronary artery disease: Computed tomography and proteomic biomarkers from the EPICHEART study Full Text
AUTHORS: Mancio, J ; Barros, AS ; Conceicao, G ; Pessoa Amorim, G; Santa, C; Bartosch, C; Ferreira, W; Carvalho, M ; Ferreira, N; Vouga, L; Miranda, IM ; Vitorino, R ; Manadas, B ; Falcao Pires, I ; Ribeiro, VG; Leite Moreira, A ; Bettencourt, N ;
PUBLISHED: 2020, SOURCE: ATHEROSCLEROSIS, VOLUME: 292, PAGES: 75-83
AUTHORS: Mancio, J ; Barros, AS ; Conceicao, G ; Pessoa Amorim, G; Santa, C; Bartosch, C; Ferreira, W; Carvalho, M ; Ferreira, N; Vouga, L; Miranda, IM ; Vitorino, R ; Manadas, B ; Falcao Pires, I ; Ribeiro, VG; Leite Moreira, A ; Bettencourt, N ;
PUBLISHED: 2020, SOURCE: ATHEROSCLEROSIS, VOLUME: 292, PAGES: 75-83
116
TITLE: gwasrapidd: an R package to query, download and wrangle GWAS catalog data Full Text
AUTHORS: Magno, R; Maia, AT ;
PUBLISHED: 2020, SOURCE: BIOINFORMATICS, VOLUME: 36, ISSUE: 2, PAGES: 649-650
AUTHORS: Magno, R; Maia, AT ;
PUBLISHED: 2020, SOURCE: BIOINFORMATICS, VOLUME: 36, ISSUE: 2, PAGES: 649-650
117
TITLE: IMPACT OF ACHIEVING LDL CHOLESTEROL LOWER THAN 100 MG/DL WITH STATINS, ON LIPID PROFILE AND INFLAMMATION IN END-STAGE RENAL DISEASE PATIENTS
AUTHORS: Coimbra, S; Reis, F; Nunes, S; Viana, SD; Valente, MJ; Rocha, S; Catarino, C ; Rocha Pereira, P; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Oliveira, JG ; Madureira, J; Fernandes, JC; Faria, MD; Miranda, VMP; Belo, L; Santos Silva, A;
PUBLISHED: 2020, SOURCE: 57th ERA-EDTA Congress in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 35, ISSUE: Supplement_3, PAGES: 1901-1901
AUTHORS: Coimbra, S; Reis, F; Nunes, S; Viana, SD; Valente, MJ; Rocha, S; Catarino, C ; Rocha Pereira, P; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Oliveira, JG ; Madureira, J; Fernandes, JC; Faria, MD; Miranda, VMP; Belo, L; Santos Silva, A;
PUBLISHED: 2020, SOURCE: 57th ERA-EDTA Congress in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 35, ISSUE: Supplement_3, PAGES: 1901-1901
INDEXED IN: WOS CrossRef
WOS CrossRef118
TITLE: In Silico Identification of Protein Targets Associated to the Insecticide Activity of Eugenol Derivatives
AUTHORS: Tatiana F Vieira; Maria F Araújo; Maria José G Fernandes; David M Pereira; Gil G Fortes; Elisabete M S Castanheira ; Sameiro S T Gonçalves; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: Chemistry Proceedings, VOLUME: 3, ISSUE: 1, PAGES: 138
AUTHORS: Tatiana F Vieira; Maria F Araújo; Maria José G Fernandes; David M Pereira; Gil G Fortes; Elisabete M S Castanheira ; Sameiro S T Gonçalves; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: Chemistry Proceedings, VOLUME: 3, ISSUE: 1, PAGES: 138
INDEXED IN: CrossRef
CrossRef119
TITLE: INTERLEUKIN-6 (RS1800795) AND PENTRAXIN 3 (RS2305619) GENETIC POLYMORPHISMS AND THEIR RELATION WITH INFLAMMATION AND ALL-CAUSE MORTALITY IN ESRD PATIENTS ON DIALYSIS
AUTHORS: Rocha, S; Valente, MJ; Coimbra, S; Catarino, C ; Rocha Pereira, P; Faria, MD; Oliveira, JG ; Madureira, J; Fernandes, JC; Miranda, VMP; Belo, L; Santos Silva, A; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ;
PUBLISHED: 2020, SOURCE: 57th ERA-EDTA Congress in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 35, ISSUE: Supplement_3, PAGES: 1890-1890
AUTHORS: Rocha, S; Valente, MJ; Coimbra, S; Catarino, C ; Rocha Pereira, P; Faria, MD; Oliveira, JG ; Madureira, J; Fernandes, JC; Miranda, VMP; Belo, L; Santos Silva, A; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ;
PUBLISHED: 2020, SOURCE: 57th ERA-EDTA Congress in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 35, ISSUE: Supplement_3, PAGES: 1890-1890
INDEXED IN: WOS CrossRef
WOS CrossRef120
TITLE: Modelling Enzymatic Mechanisms with QM/MM Approaches: Current Status and Future Challenges Full Text
AUTHORS: Magalhaes, RP; Fernandes, HS ; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: ISRAEL JOURNAL OF CHEMISTRY, VOLUME: 60, ISSUE: 7, PAGES: 655-666
AUTHORS: Magalhaes, RP; Fernandes, HS ; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: ISRAEL JOURNAL OF CHEMISTRY, VOLUME: 60, ISSUE: 7, PAGES: 655-666
