Pedro Geraldo Pascutti

Instituição:

Universidade Federal do Rio de Janeiro

Centro:

Centro de Ciências da Saúde

Unidade:

Instituto de Biofísica Carlos Chagas Filho

Departamento:

Programa de Biofísica/I Biof

ORCID:

https://orcid.org/0000-0002-5454-560X


Formação:

  • Beckman Institute - University of Illinois

    | Pós-Doutorado | 2018 - 2018

  • Universidade Federal do Rio de Janeiro

    | Pós-Doutorado | 1997 - 1998

  • Universidade de São Paulo

    Física | Doutorado | 1991 - 1996

  • Universidade de São Paulo

    Física | Mestrado | 1987 - 1990

  • Universidade Estadual de Londrina

    Física | Graduação | 1982 - 1986
Laboratórios:
Nuvens de Palavras:
Artigos:
Nenhum artigo cadastrado
Eventos:

(2.29% eventos com DOI)

Titulo DOI Ano
Large Scale Structure Sampling for Protein Fold Prediction using the Generalized Simulated Annealing 2013
Molecular Dynamics Studies of Buckminsterfullerene Derivatives as Drug Carriers 2013
CONFORMATIONAL ENSEMBLES OF GLYCOSYLATED PRION PROTEIN: A STRATEGY FOR MAPPING INTERACTIONS WITH PHYSIOLOGICAL AND THERAPEUTIC LIGANDS 2013
STUDIES OF MOLECULAR DYNAMICS AND GENERALIZED SIMULATED ANNEALING OF ANTIMICROBIAL PEPTIDE DERMADISTINCTINA 2013
IMPLICATIONS OF OLIGOMERIC ENDOSTATIN FOR CANCER THERAPY 2012
QM/MM Molecular Dynamics Methods Applied to Investigate Cellulose Fibers Hydration 2012
New Developments on Generalized Simulated Annealing Applied to ab-initio Protein Structure Prediction 2012
Impact of the D802V Mutation on the Structure and Dynamics of the CSF-1R Tyrosine Kinase Receptor 2012
The Role of the Ion Zinc on the XIAP-BIR3 Structure, Thermodynamic Stability and Function 2011
Application of in silico methods to break H-bonds in cellulose fibers: developing a new method to the production of a second generation biofuel 2011
Understanding the local anesthetic behavior in a water/membrane interface: a study from classical to QM/MM molecular dynamics 2010
Conformational Analysis of an Antiangiogenic and Antitumos Endostatin Derived Peptide 2010
The Dynamical Behavior of Human Beta1-Adrenoreceptor unde Agonist and Antagonist binding 2010
Molecular Dynamics Simulation of T cruzi Trypanothione Reductase in Complex with Peptide Inhibitos 2010
Conformational Analysis of Toxogonine, TMB-4 and HI-6 by PM6 and RM1 Methods 2009
Molecular Docking and Molecular Dynamics Simulations of Falcipain-2 and Falcipain-3 complexed with a vinyl sulfone-containing peptide-based inhibitor 2009
ENDOSTATIN DIMER STABILITY AND ITS IMPLICATIONS FOR CANCER THERAPY 2009
A new method for protein flexibility studies combining molecular dynamic simulations and normal mode analysis applied to the HIV-1 protease 2008
Molecular Dynamics Simulations of Peptide Inhibitors of Trypanosoma cruzi Trypanothione Reductase 2008
Hydrophobic effect and dissociation of benzene aggregates in water under high hydrostatic pressure 10.1007/s00249-007-0178-7 2007
Molecular dynamics of protease of different HIV subtypes complexed with commercial inhibitors 10.1007/s00249-007-0178-7 2007
Learning from peptides: Molecular Dynamics of Falcipain-2 complexed with natural peptide substrates 10.1007/s00249-007-0178-7 2007
Interaction of Local Anesthetic Tetracaine and DPPC Bilayer by Molecular Dynamics Simulation 2007
Molecular Dynamics and Quantum Mechanics Methods Applied to the Interaction Between Benzylamine and Active Sites of Bovine Trypsin and Salmon Cationic Trypsin 2007
Comparative studies of the folding of peptides by Stochastic Simulations and Molecular Dynamics Methods 2007
Comparing Molecular Modeling and Dynamics with Crystallography: Brazilian HIV-1 Protease mutants 2006
Study of Endostatin-Heparin Interaction at Structural Level by Molecular Docking and Dynamics Simulations 2006
Dissociation of Molecular Aggregates Under High Hydrostatic Pressure: The Influence of Water Structure on Benzene Cluster Solubility 2006
Molecular Dynamics of MDM2 Complexed with Native p53 and Synthetic Peptides: A Comparative Study 2006
Protein Folding Studies Using Generalized Simulated Annealing 2006
Differential survival of E. coli uvrA, uvrB, and uvrC mutants to non-UV damage induced by chemical alkylating agents depicts the possibility of alternative forms of DNA damage recognition 2006
Molecular Modeling and Dynamics Studies of Proteases of Different HIV-1 Subtypes complexed with commercial inhibitors: The non-B proteases 2006
Prediction of functional residues from Plasmodium falciparum plasmepsins: Implications in the antimalarial drugs design 2006
Revisiting the hydrophobic effect: the benzene solubility in water under high hydrostatic pressure 2006
Molecular Dynamics and Semi-Empirical Methods Applied to the Simulation of the Reaction Between Pralidoxime and Serine from the active site of Acetylcholinesterase Inhibited by the Neurotoxic Agent Tabun 2006
Endostatin dimer stability and its implications for cancer therapy 2006
Computational Studies of HIV-1 Protease of B and non-B Subtypes complexed with ritonavir 2005
- Molecular Dynamics Simulations Applied to the Study of Subtypes of HIV-1 Proteases Common to Brazil, Africa and Asia. 2004
- Interaction Between Lisossomal Protease Cathepsin B and Glycosaminoglycan Using Computer Simulation Methods 2004
- Structural Analysis of Pla Protein from Y. Pestis: Docking and Molecular Dynamics of Interactions with Mammalian Plasminogen 2004
- Study of Protein Dimmer Dissociation by Molecular Dynamics Simulation Using Hydrostatic Pressure 2004
- Molecular Modeling and Dynamics of Falcipain-2 Protease Complexes, a Contribution for Drug Development against Malaria 2004
- Gradient Pattern Analysis: Applications to Molecular Dynamics Simulations 2004
- Interaction of the Coronary Vasodilator Dipyridamol with Langmuir Monolayers: Atomistic Level Molecular Dynamics Simulations. 2004
- Antitumoral Activity of Endostatin: Is the Specificity for Heparan Sulfate Enhanced by Zinc Ion? 2004
Structural Studies of HIV-1 Protease, B and F Subtypes, by Molecular Modeling and Dynamics: Evaluating Methods for Long Range Interactions 2003
Drug Resistance Studies of C Subtype HIV-1 Protease by Molecular Modeling 2003
Protein Folding Study by Generalized Simulated Annealing 2003
Molecular Modeling and Dynamics of Falcipain-2, a new Target for Malaria Chemotherapy 2003
Contribution of the Zn2+ Ion to Dimerization of the Angiogenic Protein Endostatin 2003
Study of HIV-1 Protease Inhibition in Subtypes Occurring in Latin America and Africa by Molecular Dynamics Simulation 2003
Generalized Simulated Annealing (GSA) Applied to a Comparative Study of Secundary Structures of Mastoparan-X and Eumenine Mastoparan-AF 2003
Thermodynamic and Structural Analysis of Inhibitor Binding to Cysteine Proteases of T. cruzi 2003
Molecular Dynamics of Hiv-1 Proteases Subtype F Complexed with Several Inhibitors 2003
Comparative Modeling and Molecular Dynamics of Falcipain-2 2003
Structure of Serine Hydroxymethyltransferase (SHMT) of Plasmodium falciparum in Complex with PLP 5-formyl-H4 PTEGLU and Glycin Substrate Built by Multiple Alignment Homology Modeli 2003
Structural study of of HIV-1 proteases of brazilian and african subtypes by Molecular Modeling and Dynamics 2003
Protein Folding studies using a Grid Computing Platform 2003
Study of HIV-1 Protease Mutants Using Molecular Dynamics in a Grid Based Computational Plataform 2003
Otimização global de cadeias peptídicas empregando a estatística generalizada de Tsallis 2003
Solving the Soluble Structure of Beta-Amyloid 13-23 Peptide by NMR and Molecular Modeling 2003
A new approach to structural and thermodynamic analysis of inhibitor binding to enzyme 2002
Molecular modeling and dynamics of falcipain-2, the principal protease of Malaria 2002
Searching for evidences of drug resistance in brazilian variant HIV-1 proteases by computational simulations 2002
Molecular dynamics simulation of a melanocyte stimulating hormone (a-MSH) in a DPPC bilayer 2002
Dinâmica molecular e dicroísmo circular dos peptídeos r13, h13 and a13 da região c-terminal de proteínas p ribossomais relacionados à doença de chagas 2002
Molecular Dynamics of A, B, C and F HIV-1 protease subtypes complexed with classical inhibitors 2002
Cálculos Clássico-Quânticos de Estados Conformacionais do Triptofano 2001
Stochastic Molecular Dynamics of HIV type-1 Protease Complexed With DMP323 2001
Relative Binding Affinities of Enzyme Inhibitors - II: Molecular Modeling of T. cruzi Cysteine Protease Inhibition 2001
Electrostatic potential surface and molecular dynamics of HIV-1 protease brazilian mutants 2001
Simulation of HIV type 1 protease complexed with DMP323 using stochastic molecular dynamics 2001
Generalized Simulated Annealing Applied to Protein Folding 2001
Modelagem e Dinâmica Molecular de Complexos Enzimáticos Envolvidos na Malária 2001
A grid-based docking methodology using the generalized simulated annealing optimization method to predict ligand-protein conformations 2001
Molecular dynamics simulation of a dipalmitoylphosphatidylcholine (dppc) bilayer 2001
Molecular dynamics studies of the interaction of ellipticines with artificial membranes 2001
Simulations of large biological systems using stochastich boundary conditions and mean reaction field 2001
Structural Study of Tryptophan by Quantum and Classical Molecular Mechanics 2001
Molecular Modeling of the Sodium Channel Inactivation Gate (LIII-IV) in a Model Membrane 2000
Analysis of HIV-1 Protease/Inhibitor Complex by Molecular Modeling and Dynamics Simulations 2000
Multifractalidade na Hiper-superfície de Potencial de Proteínas 2000
Distribuição Populacional dos Rotâmeros do Triptofano por Annealing e pelo Algoritmo Genético Generalizado 2000
Molecular Modeling and Dynamics of Drug Resistant Proteases From Mutants HIV-1 2000
Relative Binding Affinities of Enzyme Inhibitors: Molecular Modeling of T. cruzi Cysteine Protease Inhibition 2000
Molecular dynamics simulation of cruzain and cruzipain2 s2 specificity pockets 2000
Conformational Changes Induced by Mutations in HIV-1 Proteases Observed by Molecular Dynamics 2000
Triptophan Internal Energy Surface Map 2000
Interpolation Methods adapted to Stochastic Molecular Dynamics for Simulating Complex Biological Systems 2000
Molecular Modeling and Dynamics Simulations of the Sodium Channel Inactivation Gate Peptide in a Model Membrane 2000
Molecular Dynamics Simulation of Halothane in a DPPC Bilayer 2000
Nonspecific Interaction Forces at Water-Membrane Interfaces by Forced Dynamics Method 2000
Modelagem e Dinâmica Molecular da Porção LIII-IV do Canal de Sódio 2000
Peptides involved in Chagas Disease: a structural study by Molecular Dynamics 2000
Estudo do Enovelamento de Hélices Usando GSA 1999
Processos de Transferência de Cargas na desexcitação de peptídeos contendo triptofano 1999
Estudo da Estabilização de Pontes Salinas e de Hidrogênio em Peptídeos em Biomembranas por Modelagem e Dinâmica Molecular 1999
Molecular Modeling of local anesthesics in biomembranes 1999
Simulações de Dinâmica Molecular do Peptídeo alfa-MSH em Meio Aquoso Explícito 1999
Explicit Solvent Molecular Dynamics Simulations of biomolecules: Folding intermediates and Molecular Recognition 1999
Dinâmica Molecular e Modelo Teórico para a Microscopia de Força Atômica 1999
Estudo de Peptídeos Envolvidos com a Autoimunidade Chagástica por Dinâmica Molecular 1999
Analysis of Peptides Helix Folding Using Generalized Simulated Annealing (GSA) with Ramachandran Restrictions 1998
Estudo por Dinâmica Molecular dos Fatores Entrópicos que Contribuem para a Dimerização do Repressor Arc 1998
Análise Estrutural Estocástica Usando o Acoplamento GSA-Ramachandran 1998
Modelagem Molecular de Peptídeos Envolvidos na Autoimunidade da Doença de Chagas 1998
Dinâmica Molecular da Inserção do Peptídeo N-Terminal da Perforina em Membrana 1998
Determinação de Estrutura de Peptídeos por Otimização Estocástica (GSA) 1997
Análise Conformacional Estocástica de Inibidores Usando GSA 1997
Dinâmica Molecular de Peptídeos com Atividade Biológica 1997
Modeagem Molecular do Peptídeo N-terminal da Perforina 1997
Prediction of Peptide Structures by Generalized Simulated Annealing - IIIrd Iberoamerican Congress of Biophysics 1997
Representação Explícita do Solvente em Simulações de Dinâmica Molecular de Peptídeos 1997
Modelagem Molecular de Enzimas Proteolíticas e seus Inibidores 1996
Modelagem Molecular de Proteínas Formadoras de Poros em Biomembranas 1996
Modelagem Molecular Clássica Usando o Método Estocástico: Generalized Simulated Annealing 1996
Molecular Dynamics of Polypeptides at the Membrane/Water Interface 1995
Molecular Dynamics Simulation at Water/Membrane Interface 1995
Molecular Dynamics at a Water/Membrane Interface of Wild Type and Mutant Signal Sequences From e.coli lambda Receptor 1994
Simulações de Dinâmica Molecular do Peptídeo alfa-MSH na Interface Membrana/Água 1994
Transferência de Cargas em Macromoléculas Biológicas: Estudo da Fluorescência do Triptofano 1994
Simulações de Dinâmica Molecular na Interface Membrana/Água: Desenvolvimento de um Software 1994
Modelagem Molecular de Melanotropinas na Interface Membrana-água 1993
Desenvolvimento de um Software para Simulações de Mecânica e Dinâmica Molecular em Interfaces Biológicas 1993
Fotomodificação do Dipiridamol: intermediação de O2 1992
Fotodecomposição do Dipiridamol 1991
Dipiridamol Light-decomposition: Solvent Effect 1991
Light-Induced Free Radicals in Melanin-Protein Complexes: A Visible Light Effect 1990
ESR Studies of Intrinsic and Photoinduced Free Radicals on Melanoproteins 1990
Efeitos da Radiação U.V. em Complexos Melano-Proteicos 1988
Estudos de E.P.R. de Propriedades de Membrana de Melanossomos 1988
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