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
221
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
222
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
223
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
224
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
225
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
226
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
227
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
228
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
229
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
230
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
231
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
232
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
233
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
234
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
235
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
236
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
237
TITLE: Combined ligand and structure based binding mode analysis of oxidosqualene cyclase inhibitors
AUTHORS: Hari Narayana H N Moorthy ; Nuno M F S A Cerqueira ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2013, SOURCE: RSC ADVANCES, VOLUME: 3, ISSUE: 45, PAGES: 23409-23422
AUTHORS: Hari Narayana H N Moorthy ; Nuno M F S A Cerqueira ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2013, SOURCE: RSC ADVANCES, VOLUME: 3, ISSUE: 45, PAGES: 23409-23422
238
TITLE: Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for copper complexes Full Text
AUTHORS: Sérgio F. Sousa ; Gaspar R P Pinto; Antonio J M Ribeiro ; Joao T S Coimbra ; Pedro A Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2013, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 34, ISSUE: 24, PAGES: 2079-2090
AUTHORS: Sérgio F. Sousa ; Gaspar R P Pinto; Antonio J M Ribeiro ; Joao T S Coimbra ; Pedro A Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2013, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 34, ISSUE: 24, PAGES: 2079-2090
239
TITLE: Comparative assessment of computational methods for the determination of solvation free energies in alcohol-based molecules Full Text
AUTHORS: Silvia A Martins; Sérgio F. Sousa ;
PUBLISHED: 2013, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 34, ISSUE: 15, PAGES: 1354-1362
AUTHORS: Silvia A Martins; Sérgio F. Sousa ;
PUBLISHED: 2013, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 34, ISSUE: 15, PAGES: 1354-1362
240
TITLE: Computational Alanine Scanning Mutagenesis: MM-PBSA vs TI Full Text
AUTHORS: Silvia A Martins; Marta A S Perez; Irina S Moreira ; Sérgio F. Sousa ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2013, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 9, ISSUE: 3, PAGES: 1311-1319
AUTHORS: Silvia A Martins; Marta A S Perez; Irina S Moreira ; Sérgio F. Sousa ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2013, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 9, ISSUE: 3, PAGES: 1311-1319
