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: 432
8 Team MembersFilters -> Year: 2026
161
TITLE: molUP: A VMD plugin to handle QM and ONIOM calculations using the gaussian software. A VMD Plugin to Handle QM and ONIOM Calculations
AUTHORS: Fernandes, HS ; Ramos, MJ ; Cerqueira, NMFSA ;
PUBLISHED: 2018, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 39, ISSUE: 19, PAGES: 1344-1353
AUTHORS: Fernandes, HS ; Ramos, MJ ; Cerqueira, NMFSA ;
PUBLISHED: 2018, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 39, ISSUE: 19, PAGES: 1344-1353
162
TITLE: Palliative splenic irradiation for symptomatic splenomegaly in non-Hodgkin lymphoma Full Text
AUTHORS: Liliana Castro Oliveira; Carlos Fardilha; Manuel Louro; Carlos Pinheiro; Abilio Sousa; Herlander Marques ; Paulo Costa;
PUBLISHED: 2018, SOURCE: ECANCERMEDICALSCIENCE, VOLUME: 12
AUTHORS: Liliana Castro Oliveira; Carlos Fardilha; Manuel Louro; Carlos Pinheiro; Abilio Sousa; Herlander Marques ; Paulo Costa;
PUBLISHED: 2018, SOURCE: ECANCERMEDICALSCIENCE, VOLUME: 12
INDEXED IN: 
Scopus 
WOS
Scopus WOS163
TITLE: Parametrization of Molybdenum Cofactors for the AMBER Force Field Full Text
AUTHORS: Pedro Ferreira; Nuno M F S A Cerqueira ; Natercia F Bras ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2018, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 14, ISSUE: 5, PAGES: 2538-2548
AUTHORS: Pedro Ferreira; Nuno M F S A Cerqueira ; Natercia F Bras ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2018, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 14, ISSUE: 5, PAGES: 2538-2548
164
TITLE: PENTRAXIN 3 VERSUS GROWTH DIFFERENTIATION FACTOR-15: ASSOCIATION WITH INFLAMMATION, IRON HOMEOSTASIS AND ERYTHROPOIESIS IN END-STAGE RENAL DISEASE PATIENTS
AUTHORS: Valente, MJ; Rocha, S; Catarino, C ; Coimbra, S ; Rocha Pereira, P; Bronze da Rocha, E; Oliveira, JG ; Madureira, J; Fernandes, JC; Faria, MD; Miranda, V; Belo, L ; 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: Valente, MJ; Rocha, S; Catarino, C ; Coimbra, S ; Rocha Pereira, P; Bronze da Rocha, E; Oliveira, JG ; Madureira, J; Fernandes, JC; Faria, MD; Miranda, V; Belo, L ; 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 CrossRef165
TITLE: Protocol for Computational Enzymatic Reactivity Based on Geometry Optimisation Full Text
AUTHORS: Cerqueira, NMFSA ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2018, SOURCE: CHEMPHYSCHEM, VOLUME: 19, ISSUE: 6, PAGES: 669-689
AUTHORS: Cerqueira, NMFSA ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2018, SOURCE: CHEMPHYSCHEM, VOLUME: 19, ISSUE: 6, PAGES: 669-689
166
TITLE: Small phospho-donors phosphorylate MorR without inducing protein conformational changes Full Text
AUTHORS: Castro, NSS; Laia, CAT; Maiti, BK; Cerqueira, NMFSA ; Moura, I; Carepo, MSP;
PUBLISHED: 2018, SOURCE: BIOPHYSICAL CHEMISTRY, VOLUME: 240, PAGES: 25-33
AUTHORS: Castro, NSS; Laia, CAT; Maiti, BK; Cerqueira, NMFSA ; Moura, I; Carepo, MSP;
PUBLISHED: 2018, SOURCE: BIOPHYSICAL CHEMISTRY, VOLUME: 240, PAGES: 25-33
167
TITLE: Studies on neuraminidase inhibition Full Text
AUTHORS: Paiva, P ; Costa, IPD; Ferreira, CE; Ferreira, P; Pereira, AT; Cerqueira, NMFSA ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2018, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 118, ISSUE: 9
AUTHORS: Paiva, P ; Costa, IPD; Ferreira, CE; Ferreira, P; Pereira, AT; Cerqueira, NMFSA ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2018, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 118, ISSUE: 9
168
TITLE: Study of human salivary proline-rich proteins interaction with food tannins Full Text
AUTHORS: Susana Soares ; Ignacio Garcia Estevez; Raul Ferrer Galego; Natercia F Bras ; Elsa Brandao ; Mafalda Silva; Teixeira, N. ; Fatima Fonseca; Sérgio F. Sousa ; Frederico Ferreira da Silva; Nuno Mateus ; Victor de Freitas ;
PUBLISHED: 2018, SOURCE: FOOD CHEMISTRY, VOLUME: 243, PAGES: 175-185
AUTHORS: Susana Soares ; Ignacio Garcia Estevez; Raul Ferrer Galego; Natercia F Bras ; Elsa Brandao ; Mafalda Silva; Teixeira, N. ; Fatima Fonseca; Sérgio F. Sousa ; Frederico Ferreira da Silva; Nuno Mateus ; Victor de Freitas ;
PUBLISHED: 2018, SOURCE: FOOD CHEMISTRY, VOLUME: 243, PAGES: 175-185
169
TITLE: Total Stereoselective Michael Addition of N- and S- Nucleophiles to a D-Erythrosyl 1,5-Lactone Derivative. Experimental and Theoretical Studies Devoted to the Synthesis of 2,6-Dideoxy-4-functionalized-D-ribono-hexono-1,4-lactone
AUTHORS: Rocha, JF; Freitas, DS; Noro, J; Teixeira, CSS; Sousa, CEA; Alves, MJ; Cerqueira, NMFSA ;
PUBLISHED: 2018, SOURCE: JOURNAL OF ORGANIC CHEMISTRY, VOLUME: 83, ISSUE: 15, PAGES: 8011-8019
AUTHORS: Rocha, JF; Freitas, DS; Noro, J; Teixeira, CSS; Sousa, CEA; Alves, MJ; Cerqueira, NMFSA ;
PUBLISHED: 2018, SOURCE: JOURNAL OF ORGANIC CHEMISTRY, VOLUME: 83, ISSUE: 15, PAGES: 8011-8019
170
TITLE: Transport Properties of Light Gases in Nanochannels of L-Leu-L-Ser Dipeptide Crystals: A Comparative Study by Molecular Dynamics Simulations
AUTHORS: Krzysztof Biernacki ; Sérgio F. Sousa ; Luis Gales ; Maria J Ramos ; Alexandre L Magalhaes ;
PUBLISHED: 2018, SOURCE: CHEMISTRYSELECT, VOLUME: 3, ISSUE: 20, PAGES: 5517-5525
AUTHORS: Krzysztof Biernacki ; Sérgio F. Sousa ; Luis Gales ; Maria J Ramos ; Alexandre L Magalhaes ;
PUBLISHED: 2018, SOURCE: CHEMISTRYSELECT, VOLUME: 3, ISSUE: 20, PAGES: 5517-5525
171
TITLE: Understanding the Catalytic Machinery and the Reaction Pathway of the Malonyl-Acetyl Transferase Domain of Human Fatty Acid Synthase
AUTHORS: Paiva, P ; Sérgio F. Sousa ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2018, SOURCE: ACS CATALYSIS, VOLUME: 8, ISSUE: 6, PAGES: 4860-4872
AUTHORS: Paiva, P ; Sérgio F. Sousa ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2018, SOURCE: ACS CATALYSIS, VOLUME: 8, ISSUE: 6, PAGES: 4860-4872
172
TITLE: Visualizing the Microscopic World Full Text
AUTHORS: Nuno M F S A Cerqueira ; Pedro A Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2018, SOURCE: INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, VOLUME: 10, ISSUE: 1, PAGES: 105-110
AUTHORS: Nuno M F S A Cerqueira ; Pedro A Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2018, SOURCE: INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, VOLUME: 10, ISSUE: 1, PAGES: 105-110
173
TITLE: Amino acid deprivation using enzymes as a targeted therapy for cancer and viral infections
AUTHORS: Fernandes, HS ; Silva Teixeira, CSS; Fernandes, PA ; Ramos, MJ ; Cerqueira, NMFSA ;
PUBLISHED: 2017, SOURCE: EXPERT OPINION ON THERAPEUTIC PATENTS, VOLUME: 27, ISSUE: 3, PAGES: 283-297
AUTHORS: Fernandes, HS ; Silva Teixeira, CSS; Fernandes, PA ; Ramos, MJ ; Cerqueira, NMFSA ;
PUBLISHED: 2017, SOURCE: EXPERT OPINION ON THERAPEUTIC PATENTS, VOLUME: 27, ISSUE: 3, PAGES: 283-297
174
TITLE: Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms. Application of QM/MM methods Full Text
AUTHORS: Sérgio F. Sousa ; Ribeiro, AJM ; Neves, Rui P. P. ; Bras, NF ; Cerqueira, NMFSA ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2017, SOURCE: WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, VOLUME: 7, ISSUE: 2
AUTHORS: Sérgio F. Sousa ; Ribeiro, AJM ; Neves, Rui P. P. ; Bras, NF ; Cerqueira, NMFSA ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2017, SOURCE: WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, VOLUME: 7, ISSUE: 2
175
TITLE: Big data in cancer genomics
AUTHORS: Maia, AT ; Sammut, SJ; Jacinta Fernandes, A; Chin, SF;
PUBLISHED: 2017, SOURCE: Current Opinion in Systems Biology, VOLUME: 4, PAGES: 78-84
AUTHORS: Maia, AT ; Sammut, SJ; Jacinta Fernandes, A; Chin, SF;
PUBLISHED: 2017, SOURCE: Current Opinion in Systems Biology, VOLUME: 4, PAGES: 78-84
176
TITLE: Cancer therapies based on enzymatic amino acid depletion
AUTHORS: Teixeira, CSS; Fernandes, HS ; Fernandes, PA ; Ramos, MJ ; Cerqueira, NMFSA ;
PUBLISHED: 2017, SOURCE: Nanostructures for Cancer Therapy, PAGES: 623-651
AUTHORS: Teixeira, CSS; Fernandes, HS ; Fernandes, PA ; Ramos, MJ ; Cerqueira, NMFSA ;
PUBLISHED: 2017, SOURCE: Nanostructures for Cancer Therapy, PAGES: 623-651
177
TITLE: Epigenetic therapy in urologic cancers: An update on clinical trials
AUTHORS: Faleiro, I; Leão, R; Binnie, A; de Mello, RA; Maia, AT ; Castelo Branco, P;
PUBLISHED: 2017, SOURCE: Oncotarget, VOLUME: 8, ISSUE: 7, PAGES: 12484-12500
AUTHORS: Faleiro, I; Leão, R; Binnie, A; de Mello, RA; Maia, AT ; Castelo Branco, P;
PUBLISHED: 2017, SOURCE: Oncotarget, VOLUME: 8, ISSUE: 7, PAGES: 12484-12500
178
TITLE: EWSR1 rearrangement is a frequent event in papillary thyroid carcinoma and in carcinoma of the thyroid with Ewing family tumor elements (CEFTE) Full Text
AUTHORS: Oliveira, G ; Polonia, A; M. Cameselle Teijeiro; Leitao, D; Sapia, S; Sobrinho Simoes, M; Eloy, C;
PUBLISHED: 2017, SOURCE: VIRCHOWS ARCHIV, VOLUME: 470, ISSUE: 5, PAGES: 517-525
AUTHORS: Oliveira, G ; Polonia, A; M. Cameselle Teijeiro; Leitao, D; Sapia, S; Sobrinho Simoes, M; Eloy, C;
PUBLISHED: 2017, SOURCE: VIRCHOWS ARCHIV, VOLUME: 470, ISSUE: 5, PAGES: 517-525
179
TITLE: Identification of miRSNPs associated with the risk of multiple myeloma. Identification of miRSNPs associated with the risk of multiple myeloma Full Text
AUTHORS: Angelica Macauda; Diego Calvetti; Giuseppe Maccari; Kari Hemminki; Asta Foersti; Hartmut Goldschmidt; Niels Weinhold; Richard Houlston; Vibeke Andersen; Ulla Vogel; Gabriele Buda; Judit Varkonyi; Anna Sureda; Joaquin Martinez Lopez; Marzena Watek; Aleksandra Butrym; Maria E Eugenia Sarasquete; Marek Dudzinski; Artur Jurczyszyn; Agnieszka Druzd Sitek; ...More
PUBLISHED: 2017, SOURCE: INTERNATIONAL JOURNAL OF CANCER, VOLUME: 140, ISSUE: 3, PAGES: 526-534
AUTHORS: Angelica Macauda; Diego Calvetti; Giuseppe Maccari; Kari Hemminki; Asta Foersti; Hartmut Goldschmidt; Niels Weinhold; Richard Houlston; Vibeke Andersen; Ulla Vogel; Gabriele Buda; Judit Varkonyi; Anna Sureda; Joaquin Martinez Lopez; Marzena Watek; Aleksandra Butrym; Maria E Eugenia Sarasquete; Marek Dudzinski; Artur Jurczyszyn; Agnieszka Druzd Sitek; ...More
PUBLISHED: 2017, SOURCE: INTERNATIONAL JOURNAL OF CANCER, VOLUME: 140, ISSUE: 3, PAGES: 526-534
180
TITLE: Improving the Catalytic Power of the DszD Enzyme for the Biodesulfurization of Crude Oil and Derivatives Full Text
AUTHORS: Ferreira, P; Sérgio F. Sousa ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2017, SOURCE: CHEMISTRY-A EUROPEAN JOURNAL, VOLUME: 23, ISSUE: 68, PAGES: 17231-17241
AUTHORS: Ferreira, P; Sérgio F. Sousa ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2017, SOURCE: CHEMISTRY-A EUROPEAN JOURNAL, VOLUME: 23, ISSUE: 68, PAGES: 17231-17241
