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
221
TITLE: Theoretical studies on mechanisms of some Mo enzymes Full Text
AUTHORS: Cerqueira, NMFSA ; Pakhira, B; Sarkar, S;
PUBLISHED: 2015, SOURCE: JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, VOLUME: 20, ISSUE: 2, PAGES: 323-335
AUTHORS: Cerqueira, NMFSA ; Pakhira, B; Sarkar, S;
PUBLISHED: 2015, SOURCE: JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, VOLUME: 20, ISSUE: 2, PAGES: 323-335
222
TITLE: Type 2 diabetes-related variants influence the risk of developing multiple myeloma: results from the IMMEnSE consortium
AUTHORS: Rafael Rios; Carmen B Belen Lupianez; Daniele Campa; Alessandro Martino; Joaquin Martinez Lopez; Manuel Martinez Bueno; Judit Varkonyi; Ramon Garcia Sanz; Krzysztof Jamroziak; Charles Dumontet; Andres J Jerez Cayuela; Marzena Wetek; Stephano Landi; Anna Maria Rossi; Fabienne Lesueur; Rui Manuel Reis ; Victor Moreno; Herlander Marques ; Artur Jurczyszyn; Vibeke Andersen; ...More
PUBLISHED: 2015, SOURCE: ENDOCRINE-RELATED CANCER, VOLUME: 22, ISSUE: 4, PAGES: 545-559
AUTHORS: Rafael Rios; Carmen B Belen Lupianez; Daniele Campa; Alessandro Martino; Joaquin Martinez Lopez; Manuel Martinez Bueno; Judit Varkonyi; Ramon Garcia Sanz; Krzysztof Jamroziak; Charles Dumontet; Andres J Jerez Cayuela; Marzena Wetek; Stephano Landi; Anna Maria Rossi; Fabienne Lesueur; Rui Manuel Reis ; Victor Moreno; Herlander Marques ; Artur Jurczyszyn; Vibeke Andersen; ...More
PUBLISHED: 2015, SOURCE: ENDOCRINE-RELATED CANCER, VOLUME: 22, ISSUE: 4, PAGES: 545-559
223
TITLE: Aryl- and Heteroaryl-Thiosemicarbazone Derivatives and Their Metal Complexes: A Template for Pharmacological Activities
AUTHORS: Narayana S.H.N. Moorthy; Nuno M.F.S.A. Cerqueira ; Maria J. Ramos; Pedro A. Fernandes;
PUBLISHED: 2014, SOURCE: Topics in Anti-Cancer Research, PAGES: 446-483
AUTHORS: Narayana S.H.N. Moorthy; Nuno M.F.S.A. Cerqueira ; Maria J. Ramos; Pedro A. Fernandes;
PUBLISHED: 2014, SOURCE: Topics in Anti-Cancer Research, PAGES: 446-483
INDEXED IN: 
CrossRef
CrossRef224
TITLE: Bases azotadas
AUTHORS: Sérgio F. Sousa ;
PUBLISHED: 2014, SOURCE: Revista de Ciência Elementar, VOLUME: 2, ISSUE: 3
AUTHORS: Sérgio F. Sousa ;
PUBLISHED: 2014, SOURCE: Revista de Ciência Elementar, VOLUME: 2, ISSUE: 3
INDEXED IN: CrossRef
CrossRef225
TITLE: Biomembrane simulations of 12 lipid types using the general amber force field in a tensionless ensemble
AUTHORS: Joao T S Coimbra ; Sérgio F. Sousa ; Pedro A Fernandes ; Maria Rangel ; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, VOLUME: 32, ISSUE: 1, PAGES: 88-103
AUTHORS: Joao T S Coimbra ; Sérgio F. Sousa ; Pedro A Fernandes ; Maria Rangel ; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, VOLUME: 32, ISSUE: 1, PAGES: 88-103
226
TITLE: chem-path-tracker: An Automated Tool to Analyze Chemical Motifs in Molecular Structures Full Text
AUTHORS: Joao V Ribeiro; Cerqueira, NMFSA ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: CHEMICAL BIOLOGY & DRUG DESIGN, VOLUME: 84, ISSUE: 1, PAGES: 44-53
AUTHORS: Joao V Ribeiro; Cerqueira, NMFSA ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: CHEMICAL BIOLOGY & DRUG DESIGN, VOLUME: 84, ISSUE: 1, PAGES: 44-53
227
TITLE: Classification study of solvation free energies of organic molecules using machine learning techniques
AUTHORS: Hari Narayana H N Moorthy; Silvia A Martins; Sérgio F. Sousa ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2014, SOURCE: RSC ADVANCES, VOLUME: 4, ISSUE: 106, PAGES: 61624-61630
AUTHORS: Hari Narayana H N Moorthy; Silvia A Martins; Sérgio F. Sousa ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2014, SOURCE: RSC ADVANCES, VOLUME: 4, ISSUE: 106, PAGES: 61624-61630
228
TITLE: Discovery of new druggable sites in the anti-cholesterol target HMG-CoA reductase by computational alanine scanning mutagenesis Full Text
AUTHORS: Gesto, DS; Cerqueira, NMFSA ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2014, SOURCE: JOURNAL OF MOLECULAR MODELING, VOLUME: 20, ISSUE: 4
AUTHORS: Gesto, DS; Cerqueira, NMFSA ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2014, SOURCE: JOURNAL OF MOLECULAR MODELING, VOLUME: 20, ISSUE: 4
229
TITLE: Enzymatic "Tricks": Carboxylate Shift and Sulfur Shift Full Text
AUTHORS: Sérgio F. Sousa ; Nuno M F S A Cerqueira ; Natercia F Bras ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 114, ISSUE: 19, PAGES: 1253-1256
AUTHORS: Sérgio F. Sousa ; Nuno M F S A Cerqueira ; Natercia F Bras ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 114, ISSUE: 19, PAGES: 1253-1256
230
TITLE: Flow cytometry assessment of graft-infiltrating lymphocytes can accurately identify acute rejection in kidney transplants Full Text
AUTHORS: Xavier, PDP; Lema, GL; Magalhaes, MC; Teixeira Pinto, A; Sampaio Norton, S ; Gaiao, S ; Guimaraes, T ; Oliveira, JGG ;
PUBLISHED: 2014, SOURCE: CLINICAL TRANSPLANTATION, VOLUME: 28, ISSUE: 2, PAGES: 177-183
AUTHORS: Xavier, PDP; Lema, GL; Magalhaes, MC; Teixeira Pinto, A; Sampaio Norton, S ; Gaiao, S ; Guimaraes, T ; Oliveira, JGG ;
PUBLISHED: 2014, SOURCE: CLINICAL TRANSPLANTATION, VOLUME: 28, ISSUE: 2, PAGES: 177-183
231
TITLE: Genetic Variants and Multiple Myeloma Risk: IMMEnSE Validation of the Best Reported Associations-An Extensive Replication of the Associations from the Candidate Gene Era
AUTHORS: Alessandro Martino; Daniele Campa; Artur Jurczyszyn; Joaquin Martinez Lopez; Maria J Jose Moreno; Judit Varkonyi; Charles Dumontet; Ramon Garcia Sanz; Federica Gemignani; Krzysztof Jamroziak; Anna Stepien; Svend Hove H Jacobsen; Vibeke Andersen; Manuel Jurado; Stefano Landi; Anna Maria Rossi; Fabienne Lesueur; Herlander Marques ; Marek Dudzinski; Marzena Watek; ...More
PUBLISHED: 2014, SOURCE: CANCER EPIDEMIOLOGY BIOMARKERS & PREVENTION, VOLUME: 23, ISSUE: 4, PAGES: 670-674
AUTHORS: Alessandro Martino; Daniele Campa; Artur Jurczyszyn; Joaquin Martinez Lopez; Maria J Jose Moreno; Judit Varkonyi; Charles Dumontet; Ramon Garcia Sanz; Federica Gemignani; Krzysztof Jamroziak; Anna Stepien; Svend Hove H Jacobsen; Vibeke Andersen; Manuel Jurado; Stefano Landi; Anna Maria Rossi; Fabienne Lesueur; Herlander Marques ; Marek Dudzinski; Marzena Watek; ...More
PUBLISHED: 2014, SOURCE: CANCER EPIDEMIOLOGY BIOMARKERS & PREVENTION, VOLUME: 23, ISSUE: 4, PAGES: 670-674
232
TITLE: Glycosidase inhibitors: a patent review (2008-2013)
AUTHORS: Natercia F Bras ; Nuno M F S A Cerqueira ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2014, SOURCE: EXPERT OPINION ON THERAPEUTIC PATENTS, VOLUME: 24, ISSUE: 8, PAGES: 857-874
AUTHORS: Natercia F Bras ; Nuno M F S A Cerqueira ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2014, SOURCE: EXPERT OPINION ON THERAPEUTIC PATENTS, VOLUME: 24, ISSUE: 8, PAGES: 857-874
233
TITLE: Novel benzopsoralen analogues: Synthesis, biological activity and molecular docking studies Full Text
AUTHORS: Carla S Francisco; Ligia R Rodrigues ; Nuno M F S A Cerqueira ; Ana M F Oliveira Campos; Ana P Esteves ;
PUBLISHED: 2014, SOURCE: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 87, PAGES: 298-305
AUTHORS: Carla S Francisco; Ligia R Rodrigues ; Nuno M F S A Cerqueira ; Ana M F Oliveira Campos; Ana P Esteves ;
PUBLISHED: 2014, SOURCE: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 87, PAGES: 298-305
234
TITLE: PLP undergoes conformational changes during the course of an enzymatic reaction Full Text
AUTHORS: Ngo, HPT; Nuno M F S A Cerqueira ; Jin Kwang Kim; Myoung Ki Hong; Pedro Alexandrino Fernandes ; Maria Joao Ramos ; Lin Woo Kang;
PUBLISHED: 2014, SOURCE: ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, VOLUME: 70, ISSUE: 2, PAGES: 596-606
AUTHORS: Ngo, HPT; Nuno M F S A Cerqueira ; Jin Kwang Kim; Myoung Ki Hong; Pedro Alexandrino Fernandes ; Maria Joao Ramos ; Lin Woo Kang;
PUBLISHED: 2014, SOURCE: ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, VOLUME: 70, ISSUE: 2, PAGES: 596-606
235
TITLE: Prediction of Solvation Free Energies with Thermodynamic Integration Using the General Amber Force Field Full Text
AUTHORS: Silvia A Martins; Sérgio F. Sousa ; Maria Joao Ramos ; Pedro A Fernandes ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 10, ISSUE: 8, PAGES: 3570-3577
AUTHORS: Silvia A Martins; Sérgio F. Sousa ; Maria Joao Ramos ; Pedro A Fernandes ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 10, ISSUE: 8, PAGES: 3570-3577
236
TITLE: Protein ligand docking in drug discovery
AUTHORS: Bras, NF ; Cerqueira, NMFSA ; Sérgio F. Sousa ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2014, SOURCE: Protein Modelling, VOLUME: 9783319099767, PAGES: 249-286
AUTHORS: Bras, NF ; Cerqueira, NMFSA ; Sérgio F. Sousa ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2014, SOURCE: Protein Modelling, VOLUME: 9783319099767, PAGES: 249-286
237
TITLE: Structural and dynamics analysis of matrix metalloproteinases MMP-2 complexed with chemically modified tetracyclines (CMTs)
AUTHORS: Marcial, BL; Sérgio F. Sousa ; Dos Santos, HF; Ramos, MJ ;
PUBLISHED: 2014, SOURCE: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, VOLUME: 32, ISSUE: 12, PAGES: 1907-1918
AUTHORS: Marcial, BL; Sérgio F. Sousa ; Dos Santos, HF; Ramos, MJ ;
PUBLISHED: 2014, SOURCE: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, VOLUME: 32, ISSUE: 12, PAGES: 1907-1918
238
TITLE: The Catalytic Mechanism of Carboxylesterases: A Computational Study Full Text
AUTHORS: Aranda, J; Cerqueira, NMFSA ; Fernandes, PA ; Roca, M; Tunon, I; Ramos, MJ ;
PUBLISHED: 2014, SOURCE: BIOCHEMISTRY, VOLUME: 53, ISSUE: 36, PAGES: 5820-5829
AUTHORS: Aranda, J; Cerqueira, NMFSA ; Fernandes, PA ; Roca, M; Tunon, I; Ramos, MJ ;
PUBLISHED: 2014, SOURCE: BIOCHEMISTRY, VOLUME: 53, ISSUE: 36, PAGES: 5820-5829
239
TITLE: Type of vascular access and location in online hemodiafiltration and its association with patient's perception of health-related quality of life
AUTHORS: Moura, A; Madureira, J; Alija, P; Fernandes, JC; Oliveira, JG ; Lopez, M; Filgueiras, M; Amado, L; Sameiro Faria, M; Miranda, V; Vieira, M ; Alice Santos-Silva ; Costa, E ;
PUBLISHED: 2014, SOURCE: JOURNAL OF VASCULAR ACCESS, VOLUME: 15, ISSUE: 3, PAGES: 175-182
AUTHORS: Moura, A; Madureira, J; Alija, P; Fernandes, JC; Oliveira, JG ; Lopez, M; Filgueiras, M; Amado, L; Sameiro Faria, M; Miranda, V; Vieira, M ; Alice Santos-Silva ; Costa, E ;
PUBLISHED: 2014, SOURCE: JOURNAL OF VASCULAR ACCESS, VOLUME: 15, ISSUE: 3, PAGES: 175-182
240
TITLE: Aryl- and Heteroaryl-Thiosemicarbazone Derivatives and Their Metal Complexes: A Pharmacological Template
AUTHORS: Moorthy, NSHN ; Cerqueira, NMFSA ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2013, SOURCE: RECENT PATENTS ON ANTI-CANCER DRUG DISCOVERY, VOLUME: 8, ISSUE: 2, PAGES: 168-182
AUTHORS: Moorthy, NSHN ; Cerqueira, NMFSA ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2013, SOURCE: RECENT PATENTS ON ANTI-CANCER DRUG DISCOVERY, VOLUME: 8, ISSUE: 2, PAGES: 168-182
