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
141
TITLE: Molecular dynamic simulations and QM/MM studies addressed to build an active Tryptophan Synthase model. A critical enzyme to treat tuberculosis
AUTHORS: Teixeira, CSS; Sérgio F. Sousa ; Cerqueira, NMFSA ;
PUBLISHED: 2019, SOURCE: 6th IEEE Portuguese Meeting on Bioengineering (ENBENG) in 2019 6TH IEEE PORTUGUESE MEETING IN BIOENGINEERING (ENBENG)
AUTHORS: Teixeira, CSS; Sérgio F. Sousa ; Cerqueira, NMFSA ;
PUBLISHED: 2019, SOURCE: 6th IEEE Portuguese Meeting on Bioengineering (ENBENG) in 2019 6TH IEEE PORTUGUESE MEETING IN BIOENGINEERING (ENBENG)
142
TITLE: New insights about the monomer and homodimer structures of the human AOX1 Full Text
AUTHORS: Ferreira, P; Cerqueira, NMFSA ; Coelho, C; Fernandes, PA ; Romao, MJ; Ramos, MJ ;
PUBLISHED: 2019, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 21, ISSUE: 25, PAGES: 13545-13554
AUTHORS: Ferreira, P; Cerqueira, NMFSA ; Coelho, C; Fernandes, PA ; Romao, MJ; Ramos, MJ ;
PUBLISHED: 2019, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 21, ISSUE: 25, PAGES: 13545-13554
143
TITLE: PENTRAXIN 3 IN END-STAGE RENAL DISEASE: MULTIPLE RISK BIOMARKER AND PREDICTOR OF ALL-CAUSE MORTALITY
AUTHORS: Maria Joao Valente; Susana Rocha; Susana Coimbra ; Cristina Catarino ; Petronila Rocha Pereira; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Jose Gerardo Oliveira ; Jose Madureira; Joao Carlos Fernandes; Maria Do Sameiro Faria; Vasco Miranda; Luis Belo ; Alice Santos-Silva ;
PUBLISHED: 2019, SOURCE: 56th Congress of the European-Renal-Association (ERA)-European-Dialysis-and-Transplant-Association (EDTA) - Burden, Access and Disparities in Kidney Disease in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 34, ISSUE: Supplement_1
AUTHORS: Maria Joao Valente; Susana Rocha; Susana Coimbra ; Cristina Catarino ; Petronila Rocha Pereira; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Jose Gerardo Oliveira ; Jose Madureira; Joao Carlos Fernandes; Maria Do Sameiro Faria; Vasco Miranda; Luis Belo ; Alice Santos-Silva ;
PUBLISHED: 2019, SOURCE: 56th Congress of the European-Renal-Association (ERA)-European-Dialysis-and-Transplant-Association (EDTA) - Burden, Access and Disparities in Kidney Disease in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 34, ISSUE: Supplement_1
INDEXED IN: 
WOS 
CrossRef
WOS CrossRef144
TITLE: PLP-dependent enzymes as important biocatalysts for the pharmaceutical, chemical and food industries: a structural and mechanistic perspective
AUTHORS: Rocha, JF; Pina, AF; Sérgio F. Sousa ; Cerqueira, NMFSA ;
PUBLISHED: 2019, SOURCE: CATALYSIS SCIENCE & TECHNOLOGY, VOLUME: 9, ISSUE: 18, PAGES: 4864-4876
AUTHORS: Rocha, JF; Pina, AF; Sérgio F. Sousa ; Cerqueira, NMFSA ;
PUBLISHED: 2019, SOURCE: CATALYSIS SCIENCE & TECHNOLOGY, VOLUME: 9, ISSUE: 18, PAGES: 4864-4876
145
TITLE: Structural and mechanistic aspects of S-S bonds in the thioredoxin-like family of proteins Full Text
AUTHORS: Sérgio F. Sousa ; Neves, Rui P. P. ; Waheed, SO; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2019, SOURCE: BIOLOGICAL CHEMISTRY, VOLUME: 400, ISSUE: 5, PAGES: 575-587
AUTHORS: Sérgio F. Sousa ; Neves, Rui P. P. ; Waheed, SO; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2019, SOURCE: BIOLOGICAL CHEMISTRY, VOLUME: 400, ISSUE: 5, PAGES: 575-587
146
TITLE: Structural Characterization of Membrane Protein Dimers
AUTHORS: Preto, AJ; Matos Filipe, P; Koukos, PI; Renault, P; Sérgio F. Sousa ; Moreira, IS;
PUBLISHED: 2019, SOURCE: Methods in molecular biology (Clifton, N.J.), VOLUME: 1958, PAGES: 403-436
AUTHORS: Preto, AJ; Matos Filipe, P; Koukos, PI; Renault, P; Sérgio F. Sousa ; Moreira, IS;
PUBLISHED: 2019, SOURCE: Methods in molecular biology (Clifton, N.J.), VOLUME: 1958, PAGES: 403-436
147
TITLE: Tailoring Specialized Scoring Functions For More Efficient Virtual Screening
AUTHORS: Vieira TF; Magalhaes RP; Sérgio F. Sousa ;
PUBLISHED: 2019, SOURCE: Frontiers in Drug, Chemistry and Clinical Research, VOLUME: 2, ISSUE: 1
AUTHORS: Vieira TF; Magalhaes RP; Sérgio F. Sousa ;
PUBLISHED: 2019, SOURCE: Frontiers in Drug, Chemistry and Clinical Research, VOLUME: 2, ISSUE: 1
148
TITLE: The Protective Role of Adiponectin for Lipoproteins in End-Stage Renal Disease Patients: Relationship with Diabetes and Body Mass Index Full Text
AUTHORS: Susana Coimbra ; Flavio Reis; Sara Nunes; Sofia Viana; Maria Joao Valente; Susana Rocha; Cristina Catarino ; Petronila Rocha Pereira; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Maria Sameiro Faria; Jose Gerardo Oliveira ; Jose Madureira; Joao Carlos Fernandes; Vasco Miranda; Luis Belo ; Alice Santos-Silva ;
PUBLISHED: 2019, SOURCE: OXIDATIVE MEDICINE AND CELLULAR LONGEVITY, VOLUME: 2019, PAGES: 1-11
AUTHORS: Susana Coimbra ; Flavio Reis; Sara Nunes; Sofia Viana; Maria Joao Valente; Susana Rocha; Cristina Catarino ; Petronila Rocha Pereira; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Maria Sameiro Faria; Jose Gerardo Oliveira ; Jose Madureira; Joao Carlos Fernandes; Vasco Miranda; Luis Belo ; Alice Santos-Silva ;
PUBLISHED: 2019, SOURCE: OXIDATIVE MEDICINE AND CELLULAR LONGEVITY, VOLUME: 2019, PAGES: 1-11
149
TITLE: VMD Store-A VMD Plugin to Browse, Discover, and Install VMD Extensions Full Text
AUTHORS: Fernandes, HS ; Sérgio F. Sousa ; Cerqueira, NMFSA ;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 59, ISSUE: 11, PAGES: 4519-4523
AUTHORS: Fernandes, HS ; Sérgio F. Sousa ; Cerqueira, NMFSA ;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 59, ISSUE: 11, PAGES: 4519-4523
150
TITLE: An integrated program of extracorporeal membrane oxygenation (ECMO) assisted cardiopulmonary resuscitation and uncontrolled donation after circulatory determination of death in refractory cardiac arrest Full Text
AUTHORS: Roberto Roncon Albuquerque ; Sergio Gaiao ; Paulo Figueiredo ; Nuno Principe; Carla Basilio; Paulo Mergulhao ; Sofia Silva; Teresa Honrado; Francisco Cruz ; Manuel Pestana ; Gerardo Oliveira ; Luis Meira; Ana Franca; Joao Paulo Almeida Sousa; Fernando Araujo ; Jose Artur Paiva ;
PUBLISHED: 2018, SOURCE: RESUSCITATION, VOLUME: 133, PAGES: 88-94
AUTHORS: Roberto Roncon Albuquerque ; Sergio Gaiao ; Paulo Figueiredo ; Nuno Principe; Carla Basilio; Paulo Mergulhao ; Sofia Silva; Teresa Honrado; Francisco Cruz ; Manuel Pestana ; Gerardo Oliveira ; Luis Meira; Ana Franca; Joao Paulo Almeida Sousa; Fernando Araujo ; Jose Artur Paiva ;
PUBLISHED: 2018, SOURCE: RESUSCITATION, VOLUME: 133, PAGES: 88-94
151
TITLE: Analyzing PEGylation through Molecular Dynamics Simulations
AUTHORS: Sérgio F. Sousa ; Peres, J ; Coelho, M; Vieira, TF;
PUBLISHED: 2018, SOURCE: CHEMISTRYSELECT, VOLUME: 3, ISSUE: 29, PAGES: 8415-8427
AUTHORS: Sérgio F. Sousa ; Peres, J ; Coelho, M; Vieira, TF;
PUBLISHED: 2018, SOURCE: CHEMISTRYSELECT, VOLUME: 3, ISSUE: 29, PAGES: 8415-8427
152
TITLE: ASSOCIATION OF NT-PRO-BNP WITH ANEMIA, INFLAMMATION AND KIDNEY FUNCTION IN PORTUGUESE DIALYSIS PATIENTS
AUTHORS: Cristina Catarino ; Susana Rocha; Susana Coimbra ; Celia Amorim; Maria Joao Valente; Petronila Rocha Pereira; Elsa Bronze da Rocha; Jose Gerardo Oliveira ; Jose Madureira; Joao Carlos Fernandes; Maria do Sameiro Faria ; Vasco Miranda; Luis Belo ; Alice Santos-Silva ;
PUBLISHED: 2018, SOURCE: 55th Congress of the European-Renal-Association (ERA) and European-Dialysis-and-Transplantation-Association (EDTA) in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 33, ISSUE: suppl_1, PAGES: 462-462
AUTHORS: Cristina Catarino ; Susana Rocha; Susana Coimbra ; Celia Amorim; Maria Joao Valente; Petronila Rocha Pereira; Elsa Bronze da Rocha; Jose Gerardo Oliveira ; Jose Madureira; Joao Carlos Fernandes; Maria do Sameiro Faria ; Vasco Miranda; Luis Belo ; Alice Santos-Silva ;
PUBLISHED: 2018, SOURCE: 55th Congress of the European-Renal-Association (ERA) and European-Dialysis-and-Transplantation-Association (EDTA) in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 33, ISSUE: suppl_1, PAGES: 462-462
INDEXED IN: WOS CrossRef
WOS CrossRef153
TITLE: ATHEROGENIC PROPERTIES OF LDL PARTICLES IN ESRD PATIENTS ON HEMODIALYSIS
AUTHORS: Susana Coimbra ; Flavio Reis; Sara Nunes; Sofia Viana; Susana Rocha; Maria Joao Valente; Cristina Catarino ; Petronila Rocha Pereira; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Maria do Sameiro Faria; Jose Gerardo Oliveira ; Jose Madureira; Joao Fernades; Vasco Madureira; Luis Belo ; Alice Santos-Silva ;
PUBLISHED: 2018, SOURCE: 55th Congress of the European-Renal-Association (ERA) and European-Dialysis-and-Transplantation-Association (EDTA) in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 33, ISSUE: suppl_1, PAGES: 431-432
AUTHORS: Susana Coimbra ; Flavio Reis; Sara Nunes; Sofia Viana; Susana Rocha; Maria Joao Valente; Cristina Catarino ; Petronila Rocha Pereira; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Maria do Sameiro Faria; Jose Gerardo Oliveira ; Jose Madureira; Joao Fernades; Vasco Madureira; Luis Belo ; Alice Santos-Silva ;
PUBLISHED: 2018, SOURCE: 55th Congress of the European-Renal-Association (ERA) and European-Dialysis-and-Transplantation-Association (EDTA) in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 33, ISSUE: suppl_1, PAGES: 431-432
INDEXED IN: WOS CrossRef
WOS CrossRef154
TITLE: AXL EXPRESSION IN MIXED LYMPHOCYTE REACTIONS IN A POPULATION OF KIDNEY TRANSPLANT PATIENTS
AUTHORS: Maria Paula D P Xavier; Susana Sampaio Norton; Jose Gerardo Oliveira ;
PUBLISHED: 2018, SOURCE: HLA, VOLUME: 91, ISSUE: 5, PAGES: 370-371
AUTHORS: Maria Paula D P Xavier; Susana Sampaio Norton; Jose Gerardo Oliveira ;
PUBLISHED: 2018, SOURCE: HLA, VOLUME: 91, ISSUE: 5, PAGES: 370-371
INDEXED IN: WOS
WOS155
TITLE: Catalytic Mechanism of the Serine Hydroxymethyltransferase: A Computational ONIOM QM/MM Study
AUTHORS: Henrique S Fernandes ; Maria Joao Ramos ; Nuno M F S A Cerqueira ;
PUBLISHED: 2018, SOURCE: ACS CATALYSIS, VOLUME: 8, ISSUE: 11, PAGES: 10096-10110
AUTHORS: Henrique S Fernandes ; Maria Joao Ramos ; Nuno M F S A Cerqueira ;
PUBLISHED: 2018, SOURCE: ACS CATALYSIS, VOLUME: 8, ISSUE: 11, PAGES: 10096-10110
156
TITLE: Creation of a Structural Database for Inhibition of Biofilm Formation
AUTHORS: Rita Magalhães; Tatiana Vieira; Henrique Fernandes; Nuno Cerqueira; André Melo; Manuel Simões; Sérgio F. Sousa ;
PUBLISHED: 2018, SOURCE: Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition
AUTHORS: Rita Magalhães; Tatiana Vieira; Henrique Fernandes; Nuno Cerqueira; André Melo; Manuel Simões; Sérgio F. Sousa ;
PUBLISHED: 2018, SOURCE: Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition
157
TITLE: Differential molecular signature in patients from African origin with triple-negative breast cancer
AUTHORS: Matias, AT; Jacinta Fernandes, A; Magno, R; Xavier, J; Cabral, MG; Jacinto, A; Maia, AT ; Braga, S;
PUBLISHED: 2018, SOURCE: Annals of oncology : official journal of the European Society for Medical Oncology, VOLUME: 29
AUTHORS: Matias, AT; Jacinta Fernandes, A; Magno, R; Xavier, J; Cabral, MG; Jacinto, A; Maia, AT ; Braga, S;
PUBLISHED: 2018, SOURCE: Annals of oncology : official journal of the European Society for Medical Oncology, VOLUME: 29
INDEXED IN: 
Scopus CrossRef
Scopus CrossRef158
TITLE: ENDOTHELIAL (DYS)FUNCTION IN PORTUGUESE ENDSTAGE RENAL DISEASE PATIENTS ON HEMODIALYSIS
AUTHORS: Susana Rocha; Maria Joao Valente; Cristina Catarino ; Susana Coimbra ; Petronila Rocha Pereira; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Jose Gerardo Oliveira ; Jose Madureira; Joao Carlos Fernandes; Maria do Sameiro Faria; Vasco Miranda; Luis Belo ; Alice Santos-Silva ;
PUBLISHED: 2018, SOURCE: 55th Congress of the European-Renal-Association (ERA) and European-Dialysis-and-Transplantation-Association (EDTA) in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 33, ISSUE: suppl_1
AUTHORS: Susana Rocha; Maria Joao Valente; Cristina Catarino ; Susana Coimbra ; Petronila Rocha Pereira; Bronze-da-Rocha E; Bronze E; Bronze-Rocha E ; Jose Gerardo Oliveira ; Jose Madureira; Joao Carlos Fernandes; Maria do Sameiro Faria; Vasco Miranda; Luis Belo ; Alice Santos-Silva ;
PUBLISHED: 2018, SOURCE: 55th Congress of the European-Renal-Association (ERA) and European-Dialysis-and-Transplantation-Association (EDTA) in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 33, ISSUE: suppl_1
INDEXED IN: WOS CrossRef
WOS CrossRef159
TITLE: HEPCIDIN-25 AND TREATMENT WITH ERYTHROPOIESIS STIMULATING AGENTS ARE INDEPENDENTLY RELATED WITH ERYTHROPOIESIS IN CHRONIC HEMODIALYSIS PATIENTS
AUTHORS: Belo, L ; Rocha, S; Valente, MJ; Coimbra, S ; Catarino, C ; Bronze da Rocha, E; Carvalho, M ; Rocha Pereira, P; do Sameiro Faria, M; Oliveira, JG ; Madureira, J; Fernandes, JC; Miranda, V; Alice Santos-Silva ;
PUBLISHED: 2018, SOURCE: 55th Congress of the European-Renal-Association (ERA) and European-Dialysis-and-Transplantation-Association (EDTA) in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 33, ISSUE: suppl_1
AUTHORS: Belo, L ; Rocha, S; Valente, MJ; Coimbra, S ; Catarino, C ; Bronze da Rocha, E; Carvalho, M ; Rocha Pereira, P; do Sameiro Faria, M; Oliveira, JG ; Madureira, J; Fernandes, JC; Miranda, V; Alice Santos-Silva ;
PUBLISHED: 2018, SOURCE: 55th Congress of the European-Renal-Association (ERA) and European-Dialysis-and-Transplantation-Association (EDTA) in NEPHROLOGY DIALYSIS TRANSPLANTATION, VOLUME: 33, ISSUE: suppl_1
160
TITLE: Inherited variation in the xenobiotic transporter pathway and survival of multiple myeloma patients Full Text
AUTHORS: Angelica Macauda; Eleonora Castelli; Gabriele Buda; Matteo Pelosini; Aleksandra Butrym; Marzena Watek; Marcin Kruszewski; Annette Juul Vangsted; Marcin Rymko; Krzysztof Jamroziak; Niels Abildgaard; Eva Kannik Haastrup; Grzegorz Mazur; Rafael Rios; Artur Jurczyszyn; Daria Zawirska; Marek Dudzinski; Malgorzata Razny; Magdalena Dutka; Waldemar Tomczak; ...More
PUBLISHED: 2018, SOURCE: BRITISH JOURNAL OF HAEMATOLOGY, VOLUME: 183, ISSUE: 3, PAGES: 375-384
AUTHORS: Angelica Macauda; Eleonora Castelli; Gabriele Buda; Matteo Pelosini; Aleksandra Butrym; Marzena Watek; Marcin Kruszewski; Annette Juul Vangsted; Marcin Rymko; Krzysztof Jamroziak; Niels Abildgaard; Eva Kannik Haastrup; Grzegorz Mazur; Rafael Rios; Artur Jurczyszyn; Daria Zawirska; Marek Dudzinski; Malgorzata Razny; Magdalena Dutka; Waldemar Tomczak; ...More
PUBLISHED: 2018, SOURCE: BRITISH JOURNAL OF HAEMATOLOGY, VOLUME: 183, ISSUE: 3, PAGES: 375-384
INDEXED IN: Scopus WOS
Scopus WOS