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
41
TITLE: A Molecular Mechanics Energy Partitioning Software for Biomolecular Systems Full Text
AUTHORS: Fernandes, Henrique S.; Cerqueira, Nuno M. F. S. A.; Sérgio F. Sousa ; Melo, Andre ;
PUBLISHED: 2022, SOURCE: MOLECULES, VOLUME: 27, ISSUE: 17, PAGES: 5524
AUTHORS: Fernandes, Henrique S.; Cerqueira, Nuno M. F. S. A.; Sérgio F. Sousa ; Melo, Andre ;
PUBLISHED: 2022, SOURCE: MOLECULES, VOLUME: 27, ISSUE: 17, PAGES: 5524
42
TITLE: Allelic expression imbalance of PIK3CA mutations is frequent in breast cancer and prognostically significant
AUTHORS: Lizelle Correia; Joana M Xavier; Ramiro Magno; Bernardo de d Almeida; Filipa Esteves; Isabel Duarte ; Matthew Eldridge; Chong Sun; Astrid Bosma; Lorenza Mittempergher; Ana Marreiros; Rene Bernards; Carlos Caldas; Suet-Feung Chin; Ana-Teresa Maia ;
PUBLISHED: 2022, SOURCE: NPJ BREAST CANCER, VOLUME: 8, ISSUE: 1
AUTHORS: Lizelle Correia; Joana M Xavier; Ramiro Magno; Bernardo de d Almeida; Filipa Esteves; Isabel Duarte ; Matthew Eldridge; Chong Sun; Astrid Bosma; Lorenza Mittempergher; Ana Marreiros; Rene Bernards; Carlos Caldas; Suet-Feung Chin; Ana-Teresa Maia ;
PUBLISHED: 2022, SOURCE: NPJ BREAST CANCER, VOLUME: 8, ISSUE: 1
43
TITLE: Antimicrobial Susceptibility of Persister Biofilm Cells of Bacillus cereus and Pseudomonas fluorescens
AUTHORS: Fernandes, S; Gomes, IB; Sérgio F. Sousa ; Simoes, M ;
PUBLISHED: 2022, SOURCE: MICROORGANISMS, VOLUME: 10, ISSUE: 1, PAGES: 160
AUTHORS: Fernandes, S; Gomes, IB; Sérgio F. Sousa ; Simoes, M ;
PUBLISHED: 2022, SOURCE: MICROORGANISMS, VOLUME: 10, ISSUE: 1, PAGES: 160
44
TITLE: ceRNA Network of lncRNA/miRNA as Circulating Prognostic Biomarkers in Non-Hodgkin Lymphomas: Bioinformatic Analysis and Assessment of Their Prognostic Value in an NHL Cohort
AUTHORS: Fernandes, M ; Marques, H ; Teixeira, AL; Rui Medeiros ;
PUBLISHED: 2022, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 23, ISSUE: 1, PAGES: 201
AUTHORS: Fernandes, M ; Marques, H ; Teixeira, AL; Rui Medeiros ;
PUBLISHED: 2022, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 23, ISSUE: 1, PAGES: 201
45
TITLE: Circulating lncRNA- and miRNA-Associated ceRNA Network as a Potential Prognostic Biomarker for Non-Hodgkin Lymphoma: A Bioinformatics Analysis and a Pilot Study
AUTHORS: Fernandes, Mara ; Marques, Herlander ; Teixeira, Ana Luisa; Rui Medeiros ;
PUBLISHED: 2022, SOURCE: BIOMEDICINES, VOLUME: 10, ISSUE: 6, PAGES: 1322
AUTHORS: Fernandes, Mara ; Marques, Herlander ; Teixeira, Ana Luisa; Rui Medeiros ;
PUBLISHED: 2022, SOURCE: BIOMEDICINES, VOLUME: 10, ISSUE: 6, PAGES: 1322
46
TITLE: Computational Studies Devoted to the Catalytic Mechanism of Threonine Aldolase, a Critical Enzyme in the Pharmaceutical Industry to Synthesize β-Hydroxy-α-amino Acids
AUTHORS: Rocha, Juliana F.; Sérgio F. Sousa ; Cerqueira, Nuno M. F. Sousa A.;
PUBLISHED: 2022, SOURCE: ACS CATALYSIS, VOLUME: 12, ISSUE: 9, PAGES: 4990-4999
AUTHORS: Rocha, Juliana F.; Sérgio F. Sousa ; Cerqueira, Nuno M. F. Sousa A.;
PUBLISHED: 2022, SOURCE: ACS CATALYSIS, VOLUME: 12, ISSUE: 9, PAGES: 4990-4999
47
TITLE: Cover Feature: The Catalytic Mechanism of Pdx2 Glutaminase Driven by a Cys‐His‐Glu Triad: A Computational Study (ChemBioChem 9/2022) Full Text
AUTHORS: André F Pina; Sérgio F. Sousa ; Nuno M F S A Cerqueira;
PUBLISHED: 2022, SOURCE: ChemBioChem, VOLUME: 23, ISSUE: 9
AUTHORS: André F Pina; Sérgio F. Sousa ; Nuno M F S A Cerqueira;
PUBLISHED: 2022, SOURCE: ChemBioChem, VOLUME: 23, ISSUE: 9
INDEXED IN: 
CrossRef
CrossRef48
TITLE: Current Status of the Use of Multifunctional Enzymes as Anti-Cancer Drug Targets Full Text
AUTHORS: Teixeira, CSS; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: PHARMACEUTICS, VOLUME: 14, ISSUE: 1, PAGES: 10
AUTHORS: Teixeira, CSS; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: PHARMACEUTICS, VOLUME: 14, ISSUE: 1, PAGES: 10
49
TITLE: Development of Neuropeptide Y and Cell-Penetrating Peptide MAP Adsorbed onto Lipid Nanoparticle Surface Full Text
AUTHORS: Silva, Sara; Marto, Joana; Goncalves, Lidia M.; Fernandes, Henrique S.; Sérgio F. Sousa ; Almeida, Antonio J. ; Nuno Filipe de Sousa Vale ;
PUBLISHED: 2022, SOURCE: MOLECULES, VOLUME: 27, ISSUE: 9, PAGES: 2734
AUTHORS: Silva, Sara; Marto, Joana; Goncalves, Lidia M.; Fernandes, Henrique S.; Sérgio F. Sousa ; Almeida, Antonio J. ; Nuno Filipe de Sousa Vale ;
PUBLISHED: 2022, SOURCE: MOLECULES, VOLUME: 27, ISSUE: 9, PAGES: 2734
50
TITLE: Drug Repurposing Targeting Pseudomonas aeruginosa MvfR Using Docking, Virtual Screening, Molecular Dynamics, and Free-Energy Calculations
AUTHORS: Vieira, Tatiana F. F.; Magalhaes, Rita P. P.; Simoes, Manuel ; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: ANTIBIOTICS-BASEL, VOLUME: 11, ISSUE: 2, PAGES: 185
AUTHORS: Vieira, Tatiana F. F.; Magalhaes, Rita P. P.; Simoes, Manuel ; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: ANTIBIOTICS-BASEL, VOLUME: 11, ISSUE: 2, PAGES: 185
51
TITLE: Front Cover: Transformation of a Chiral Glycolic Acid to an Isoaurone: Stereochemical Assignment of a Benzilic Acid Rearrangment Product (Asian J. Org. Chem. 4/2022) Full Text
AUTHORS: Anthony J Burke; Carla S S Teixeira; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: Asian Journal of Organic Chemistry, VOLUME: 11, ISSUE: 4
AUTHORS: Anthony J Burke; Carla S S Teixeira; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: Asian Journal of Organic Chemistry, VOLUME: 11, ISSUE: 4
INDEXED IN: CrossRef
CrossRef52
TITLE: Germline allelic expression of genes at 17q22 locus associates with risk of breast cancer Full Text
AUTHORS: Esteves, Filipa; Xavier, Joana M.; Ford, Anthony M.; Rocha, Catia; Pharoah, Paul D. P.; Caldas, Carlos; Chin, Suet Feung; Maia, Ana Teresa ;
PUBLISHED: 2022, SOURCE: EUROPEAN JOURNAL OF CANCER, VOLUME: 172, PAGES: 146-157
AUTHORS: Esteves, Filipa; Xavier, Joana M.; Ford, Anthony M.; Rocha, Catia; Pharoah, Paul D. P.; Caldas, Carlos; Chin, Suet Feung; Maia, Ana Teresa ;
PUBLISHED: 2022, SOURCE: EUROPEAN JOURNAL OF CANCER, VOLUME: 172, PAGES: 146-157
INDEXED IN: 
Scopus 
WOS
Scopus WOS53
TITLE: Identification of novel aptamers targeting cathepsin B-overexpressing prostate cancer cells
AUTHORS: Pereira, Ana Claudia ; Pina, Andre F.; Sousa, Diana; Ferreira, Debora; Santos Pereira, Catia; Rodrigues, Joana L.; Melo, Luis D. R.; Sales, Goreti; Sérgio F. Sousa ; Rodrigues, Ligia R. ;
PUBLISHED: 2022, SOURCE: MOLECULAR SYSTEMS DESIGN & ENGINEERING, VOLUME: 7, ISSUE: 6, PAGES: 637-650
AUTHORS: Pereira, Ana Claudia ; Pina, Andre F.; Sousa, Diana; Ferreira, Debora; Santos Pereira, Catia; Rodrigues, Joana L.; Melo, Luis D. R.; Sales, Goreti; Sérgio F. Sousa ; Rodrigues, Ligia R. ;
PUBLISHED: 2022, SOURCE: MOLECULAR SYSTEMS DESIGN & ENGINEERING, VOLUME: 7, ISSUE: 6, PAGES: 637-650
54
TITLE: Identification of novel candidates for inhibition of LasR, a quorum-sensing receptor of multidrug resistant Pseudomonas aeruginosa, through a specialized multi-level in silico approach
AUTHORS: Magalhaes, RP; Vieira, TF; Melo, A ; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: MOLECULAR SYSTEMS DESIGN & ENGINEERING, VOLUME: 7, ISSUE: 5, PAGES: 434-446
AUTHORS: Magalhaes, RP; Vieira, TF; Melo, A ; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: MOLECULAR SYSTEMS DESIGN & ENGINEERING, VOLUME: 7, ISSUE: 5, PAGES: 434-446
55
TITLE: Identification of tripeptides against tyrosine kinase domain of EGFR for lung cancer cell inhibition by in silico and in vitro studies Full Text
AUTHORS: Kiriwan, D; Seetaha, S; Jiwacharoenchai, N; Tabtimmai, L; Sérgio F. Sousa ; Songtawee, N; Choowongkomon, K;
PUBLISHED: 2022, SOURCE: CHEMICAL BIOLOGY & DRUG DESIGN, VOLUME: 99, ISSUE: 3, PAGES: 456-469
AUTHORS: Kiriwan, D; Seetaha, S; Jiwacharoenchai, N; Tabtimmai, L; Sérgio F. Sousa ; Songtawee, N; Choowongkomon, K;
PUBLISHED: 2022, SOURCE: CHEMICAL BIOLOGY & DRUG DESIGN, VOLUME: 99, ISSUE: 3, PAGES: 456-469
56
TITLE: Liposomal Formulations Loaded with a Eugenol Derivative for Application as Insecticides: Encapsulation Studies and In Silico Identification of Protein Targets
AUTHORS: Fernandes, Maria Jose G.; Renato B. Pereira ; Rodrigues, Ana Rita O.; Vieira, Tatiana F.; Fortes, A. Gil; Pereira, David M. ; Sérgio F. Sousa ; Goncalves, M. Sameiro T.; Castanheira, Elisabete M. S. ;
PUBLISHED: 2022, SOURCE: NANOMATERIALS, VOLUME: 12, ISSUE: 20, PAGES: 3583
AUTHORS: Fernandes, Maria Jose G.; Renato B. Pereira ; Rodrigues, Ana Rita O.; Vieira, Tatiana F.; Fortes, A. Gil; Pereira, David M. ; Sérgio F. Sousa ; Goncalves, M. Sameiro T.; Castanheira, Elisabete M. S. ;
PUBLISHED: 2022, SOURCE: NANOMATERIALS, VOLUME: 12, ISSUE: 20, PAGES: 3583
57
TITLE: METABOLIC SYNDROME AND CARDIOVASCULAR DISEASE RISK IN END-STAGE RENAL DISEASE PATIENTS Full Text
AUTHORS: Coimbra, S. ; Reis, F.; Nunes, S.; Viana, S.; Rocha, S.; Valente, M. J.; Catarino, C. ; Rocha Pereira, P.; Bronze Da Rocha, E.; Oliveira, J. G. ; Fernandes, J. C.; Madureira, J.; Faria, M. D. S.; Miranda, V.; Belo, L. ; Santos Silva, A.;
PUBLISHED: 2022, SOURCE: ATHEROSCLEROSIS, VOLUME: 355
AUTHORS: Coimbra, S. ; Reis, F.; Nunes, S.; Viana, S.; Rocha, S.; Valente, M. J.; Catarino, C. ; Rocha Pereira, P.; Bronze Da Rocha, E.; Oliveira, J. G. ; Fernandes, J. C.; Madureira, J.; Faria, M. D. S.; Miranda, V.; Belo, L. ; Santos Silva, A.;
PUBLISHED: 2022, SOURCE: ATHEROSCLEROSIS, VOLUME: 355
58
TITLE: MONOALLELIC EXPRESSION OF BREAST CANCER DRIVER GENES REVEALS FUNCTIONAL PASSENGER MUTATIONS Full Text
AUTHORS: Duarte, Isabel; Magno, Ramiro; Maia, Ana Teresa ;
PUBLISHED: 2022, SOURCE: MEDICINE, VOLUME: 101, ISSUE: 30
AUTHORS: Duarte, Isabel; Magno, Ramiro; Maia, Ana Teresa ;
PUBLISHED: 2022, SOURCE: MEDICINE, VOLUME: 101, ISSUE: 30
INDEXED IN: WOS
WOS59
TITLE: New insights into the catalytic mechanism of the SARS-CoV-2 main protease: an ONIOM QM/MM approach Full Text
AUTHORS: Fernandes, HS ; Sérgio F. Sousa ; Cerqueira, NMFSA;
PUBLISHED: 2022, SOURCE: MOLECULAR DIVERSITY, VOLUME: 26, ISSUE: 3, PAGES: 1373-1381
AUTHORS: Fernandes, HS ; Sérgio F. Sousa ; Cerqueira, NMFSA;
PUBLISHED: 2022, SOURCE: MOLECULAR DIVERSITY, VOLUME: 26, ISSUE: 3, PAGES: 1373-1381
60
TITLE: Non-B DNA conformations analysis through molecular dynamics simulations
AUTHORS: Pina, Andre F.; Sérgio F. Sousa ; Azevedo, Luisa ; Carneiro, Joao ;
PUBLISHED: 2022, SOURCE: BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, VOLUME: 1866, ISSUE: 12, PAGES: 130252
AUTHORS: Pina, Andre F.; Sérgio F. Sousa ; Azevedo, Luisa ; Carneiro, Joao ;
PUBLISHED: 2022, SOURCE: BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, VOLUME: 1866, ISSUE: 12, PAGES: 130252
