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
241
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
242
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
243
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
244
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
245
TITLE: Computational Biochemistry
AUTHORS: Brás, NF ; Coimbra, JTS ; Neves, Rui P. P. ; Cerqueira, NMFSA ; Sérgio F. Sousa ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2013, SOURCE: Reference Module in Chemistry, Molecular Sciences and Chemical Engineering
AUTHORS: Brás, NF ; Coimbra, JTS ; Neves, Rui P. P. ; Cerqueira, NMFSA ; Sérgio F. Sousa ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2013, SOURCE: Reference Module in Chemistry, Molecular Sciences and Chemical Engineering
246
TITLE: Development of Ribonucleotide Reductase Inhibitor: A Review on Structure Activity Relationships
AUTHORS: Narayana S H N Moorthy ; Nuno M F S A Cerqueira ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2013, SOURCE: MINI-REVIEWS IN MEDICINAL CHEMISTRY, VOLUME: 13, ISSUE: 13, PAGES: 1862-1872
AUTHORS: Narayana S H N Moorthy ; Nuno M F S A Cerqueira ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2013, SOURCE: MINI-REVIEWS IN MEDICINAL CHEMISTRY, VOLUME: 13, ISSUE: 13, PAGES: 1862-1872
247
TITLE: DNA (Química Biológica)
AUTHORS: Sérgio F. Sousa ;
PUBLISHED: 2013, SOURCE: Revista de Ciência Elementar, VOLUME: 1, ISSUE: 1
AUTHORS: Sérgio F. Sousa ;
PUBLISHED: 2013, SOURCE: Revista de Ciência Elementar, VOLUME: 1, ISSUE: 1
INDEXED IN: 
CrossRef
CrossRef248
TITLE: Erratum: Polymorphisms in xenobiotic transporters ABCB1, ABCG2, ABCC2, ABCC1, ABCC3 and multiple myeloma risk: A case - Control study in the context of the International Multiple Myeloma rESEarch (IMMEnSE) consortium (Leukemia (2012) 26 (1419-1422) DOI: 10.1038/leu.2011.352)
AUTHORS: Martino, A; Campa, D; Buda, G; Sainz, J; Garcia Sanz, R; Jamroziak, K; Reis, RM; Weinhold, N; Jurado, M; Rios, R; Szemraj Rogucka, Z; Marques, H ; Szemraj, J; Stein, A; Kumar, R; Orciuolo, E; Gemignani, F; Landi, S; Goldschmidt, H; Petrini, M; ...More
PUBLISHED: 2013, SOURCE: Leukemia, VOLUME: 27, ISSUE: 7, PAGES: 1615-1616
AUTHORS: Martino, A; Campa, D; Buda, G; Sainz, J; Garcia Sanz, R; Jamroziak, K; Reis, RM; Weinhold, N; Jurado, M; Rios, R; Szemraj Rogucka, Z; Marques, H ; Szemraj, J; Stein, A; Kumar, R; Orciuolo, E; Gemignani, F; Landi, S; Goldschmidt, H; Petrini, M; ...More
PUBLISHED: 2013, SOURCE: Leukemia, VOLUME: 27, ISSUE: 7, PAGES: 1615-1616
INDEXED IN: 
Scopus
Scopus249
TITLE: Farnesyltransferase Inhibitors: A Comprehensive Review Based on Quantitative Structural Analysis
AUTHORS: Moorthy, NSHN; Sérgio F. Sousa ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2013, SOURCE: CURRENT MEDICINAL CHEMISTRY, VOLUME: 20, ISSUE: 38, PAGES: 4888-4923
AUTHORS: Moorthy, NSHN; Sérgio F. Sousa ; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2013, SOURCE: CURRENT MEDICINAL CHEMISTRY, VOLUME: 20, ISSUE: 38, PAGES: 4888-4923
250
TITLE: Functional Variants at the 11q13 Risk Locus for Breast Cancer Regulate Cyclin D1 Expression through Long-Range Enhancers
AUTHORS: Juliet D French; Maya Ghoussaini; Stacey L Edwards; Kerstin B Meyer; Kyriaki Michailidou; Shahana Ahmed; Sofia Khan; Mel J Maranian; Martin O'Reilly; Kristine M Hillman; Joshua A Betts; Thomas Carro; Peter J Bailey; Ed Dicks; Jonathan Beesley; Jonathan Tyrer; Ana Teresa Maia ; Andrew Beck; Nicholas W Knoblauch; Constance Chen; ...More
PUBLISHED: 2013, SOURCE: AMERICAN JOURNAL OF HUMAN GENETICS, VOLUME: 92, ISSUE: 4, PAGES: 489-503
AUTHORS: Juliet D French; Maya Ghoussaini; Stacey L Edwards; Kerstin B Meyer; Kyriaki Michailidou; Shahana Ahmed; Sofia Khan; Mel J Maranian; Martin O'Reilly; Kristine M Hillman; Joshua A Betts; Thomas Carro; Peter J Bailey; Ed Dicks; Jonathan Beesley; Jonathan Tyrer; Ana Teresa Maia ; Andrew Beck; Nicholas W Knoblauch; Constance Chen; ...More
PUBLISHED: 2013, SOURCE: AMERICAN JOURNAL OF HUMAN GENETICS, VOLUME: 92, ISSUE: 4, PAGES: 489-503
251
TITLE: Identification of Crucial Amino Acids in Mouse Aldehyde Oxidase 3 That Determine Substrate Specificity Full Text
AUTHORS: Martin Mahro; Natercia F Bras ; Nuno M F S A Cerqueira ; Christian Teutloff; Catarina Coelho; Maria Joao Romao ; Silke Leimkuehler;
PUBLISHED: 2013, SOURCE: PLOS ONE, VOLUME: 8, ISSUE: 12
AUTHORS: Martin Mahro; Natercia F Bras ; Nuno M F S A Cerqueira ; Christian Teutloff; Catarina Coelho; Maria Joao Romao ; Silke Leimkuehler;
PUBLISHED: 2013, SOURCE: PLOS ONE, VOLUME: 8, ISSUE: 12
252
TITLE: IRF3 AND IRF7 PROTEIN EXPRESSION ARE SIGNIFICANTLY UP-REGULATED IN ACUTE REJECTION OF KIDNEY TRANSPLANTS Full Text
AUTHORS: Paula Xavier; Susana Sampaio; Sergio Gaiao ; Jose G G Oliveira ;
PUBLISHED: 2013, SOURCE: TRANSPLANT INTERNATIONAL, VOLUME: 26, PAGES: 204-204
AUTHORS: Paula Xavier; Susana Sampaio; Sergio Gaiao ; Jose G G Oliveira ;
PUBLISHED: 2013, SOURCE: TRANSPLANT INTERNATIONAL, VOLUME: 26, PAGES: 204-204
INDEXED IN: 
WOS
WOS253
TITLE: Molecular dynamics analysis of a series of 22 potential farnesyltransferase substrates containing a CaaX-motif Full Text
AUTHORS: Sérgio F. Sousa ; Joao T S Coimbra ; Diogo Paramos; Rita Pinto; Rodrigo S Guimares; Vitor Teixeira; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2013, SOURCE: JOURNAL OF MOLECULAR MODELING, VOLUME: 19, ISSUE: 2, PAGES: 673-688
AUTHORS: Sérgio F. Sousa ; Joao T S Coimbra ; Diogo Paramos; Rita Pinto; Rodrigo S Guimares; Vitor Teixeira; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2013, SOURCE: JOURNAL OF MOLECULAR MODELING, VOLUME: 19, ISSUE: 2, PAGES: 673-688
254
TITLE: Parameters for Molecular Dynamics Simulations of Manganese-Containing Metalloproteins Full Text
AUTHORS: Neves, Rui P. P. ; Sérgio F. Sousa ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2013, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 9, ISSUE: 6, PAGES: 2718-2732
AUTHORS: Neves, Rui P. P. ; Sérgio F. Sousa ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2013, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 9, ISSUE: 6, PAGES: 2718-2732
255
TITLE: Polymorphisms in regulators of xenobiotic transport and metabolism genes PXR and CAR do not affect multiple myeloma risk: a case-control study in the context of the IMMEnSE consortium Full Text
AUTHORS: Alessandro Martino; Juan Sainz; Rui Manuel Reis ; Victor Moreno; Gabriele Buda; Fabienne Lesueur; Herlander Marques ; Ramon Garcia Sanz; Rafael Rios; Angelika Stein; Charles Dumontet; Federica Gemignani; Anna Maria Rossi; Stefano Landi; Manuel Jurado; Mario Petrini; Krzysztof Jamroziak; Daniele Campa; Federico Canzian;
PUBLISHED: 2013, SOURCE: JOURNAL OF HUMAN GENETICS, VOLUME: 58, ISSUE: 3, PAGES: 155-159
AUTHORS: Alessandro Martino; Juan Sainz; Rui Manuel Reis ; Victor Moreno; Gabriele Buda; Fabienne Lesueur; Herlander Marques ; Ramon Garcia Sanz; Rafael Rios; Angelika Stein; Charles Dumontet; Federica Gemignani; Anna Maria Rossi; Stefano Landi; Manuel Jurado; Mario Petrini; Krzysztof Jamroziak; Daniele Campa; Federico Canzian;
PUBLISHED: 2013, SOURCE: JOURNAL OF HUMAN GENETICS, VOLUME: 58, ISSUE: 3, PAGES: 155-159
256
TITLE: Polymorphisms in xenobiotic transporters ABCB1, ABCG2, ABCC2, ABCC1, ABCC3 and multiple myeloma risk: a case—control study in the context of the International Multiple Myeloma rESEarch (IMMEnSE) consortium Full Text
AUTHORS: Martino, A; Campa, D; Buda, G; Sainz, J; García-Sanz, R; Jamroziak, K; Reis, RM ; Weinhold, N; Jurado, M; Ríos, R; Szemraj-Rogucka, Z; Marques, H ; Szemraj, J; Stein, A; Kumar, R; Orciuolo, E; Gemignani, F; Landi, S; Goldschmidt, H; Petrini, M; ...More
PUBLISHED: 2013, SOURCE: Leukemia, VOLUME: 27, ISSUE: 7, PAGES: 1615-1616
AUTHORS: Martino, A; Campa, D; Buda, G; Sainz, J; García-Sanz, R; Jamroziak, K; Reis, RM ; Weinhold, N; Jurado, M; Ríos, R; Szemraj-Rogucka, Z; Marques, H ; Szemraj, J; Stein, A; Kumar, R; Orciuolo, E; Gemignani, F; Landi, S; Goldschmidt, H; Petrini, M; ...More
PUBLISHED: 2013, SOURCE: Leukemia, VOLUME: 27, ISSUE: 7, PAGES: 1615-1616
INDEXED IN: CrossRef
CrossRef257
TITLE: Protein-Ligand Docking in the New Millennium - A Retrospective of 10 Years in the Field
AUTHORS: Sérgio F. Sousa ; Ribeiro, AJM ; Coimbra, JTS ; Neves, Rui P. P. ; Martins, SA; Moorthy, NSHN ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2013, SOURCE: CURRENT MEDICINAL CHEMISTRY, VOLUME: 20, ISSUE: 18, PAGES: 2296-2314
AUTHORS: Sérgio F. Sousa ; Ribeiro, AJM ; Coimbra, JTS ; Neves, Rui P. P. ; Martins, SA; Moorthy, NSHN ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2013, SOURCE: CURRENT MEDICINAL CHEMISTRY, VOLUME: 20, ISSUE: 18, PAGES: 2296-2314
258
TITLE: Ribonucleotide Reductase as a Target to Control Cancer Proliferation
AUTHORS: Nuno M.F.S.A. Cerqueira ; Narayana S.H.N. Moorthy; Pedro A. Fernandes; Maria J. Ramos;
PUBLISHED: 2013, SOURCE: Topics in Anti-Cancer Research, PAGES: 363-406
AUTHORS: Nuno M.F.S.A. Cerqueira ; Narayana S.H.N. Moorthy; Pedro A. Fernandes; Maria J. Ramos;
PUBLISHED: 2013, SOURCE: Topics in Anti-Cancer Research, PAGES: 363-406
INDEXED IN: CrossRef
CrossRef259
TITLE: Ribonucleotide Reductase – Computational Studies
AUTHORS: Nuno F S A Cerqueira ; Pedro Fernandes ; Maria João Ramos ;
PUBLISHED: 2013, SOURCE: Encyclopedia of Biophysics, PAGES: 2256-2260
AUTHORS: Nuno F S A Cerqueira ; Pedro Fernandes ; Maria João Ramos ;
PUBLISHED: 2013, SOURCE: Encyclopedia of Biophysics, PAGES: 2256-2260
INDEXED IN: Scopus CrossRef
Scopus CrossRef260
TITLE: Synthesis of novel psoralen analogues and their in vitro antitumor activity Full Text
AUTHORS: Carla S Francisco; Ligia R Rodrigues ; Nuno M F S A Cerqueira ; Ana M F Oliveira Campos; Ligia M Rodrigues; Ana P Esteves ;
PUBLISHED: 2013, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 21, ISSUE: 17, PAGES: 5047-5053
AUTHORS: Carla S Francisco; Ligia R Rodrigues ; Nuno M F S A Cerqueira ; Ana M F Oliveira Campos; Ligia M Rodrigues; Ana P Esteves ;
PUBLISHED: 2013, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 21, ISSUE: 17, PAGES: 5047-5053
