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
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:
(81.55% artigos com DOI)
| Titulo | DOI | Ano |
|---|---|---|
| Insights into nucleoside hydrolase from Leishmania donovani inhibition: A new bioaffinity chromatography-based screening assay and docking studies | 10.1016/j.bioorg.2024.107302 | 2024 |
| A spatially resolved elemental nanodomain organization within acidocalcisomes in | 10.1073/pnas.2300942120 | 2023 |
| Structure-based discovery of novel cruzain inhibitors with distinct trypanocidal activity profiles | 10.1016/j.ejmech.2023.115498 | 2023 |
| Three decades targeting falcipains to develop antiplasmodial agents: what have we learned and what can be done next? | 10.2174/0929867331666230913165219 | 2023 |
| Genetic diversity of the melanocortin-1 receptor in an admixed population of Rio de Janeiro: Structural and functional impacts of Cys35Tyr variant | 10.1371/journal.pone.0267286 | 2022 |
| Staphylococcus aureus Exfoliative Toxin E, Oligomeric State and Flip of P186: Implications for Its Action Mechanism | 10.3390/ijms23179857 | 2022 |
| Improving Blind Docking in DOCK6 through an Automated Preliminary Fragment Probing Strategy | 10.3390/molecules26051224 | 2021 |
| Computational study on the allosteric mechanism of Leishmania major IF4E-1 by 4E-interacting protein-1: Unravelling the determinants of m7GTP cap recognition | 10.1016/j.csbj.2021.03.036 | 2021 |
| The p38 MAPK Inhibitors and Their Role in Inflammatory Diseases | 10.1002/slct.202100406 | 2021 |
| In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2 | 10.1007/s10822-021-00420-7 | 2021 |
| A molecular docking integrated platform for virtual screening of bioactive compounds | 2021 | |
| A novel receptor for platelet-activating factor and lysophosphatidylcholine in Trypanosoma cruzi | 10.1111/mmi.14778 | 2021 |
| Pisum sativum Defensin 1 Eradicates Mouse Metastatic Lung Nodules from B16F10 Melanoma Cells | 10.3390/ijms21082662 | 2020 |
| Physicochemical and structural properties of lunasin revealed by spectroscopic, chromatographic and molecular dynamics approaches | 10.1016/j.bbapap.2020.140440 | 2020 |
| Theoretical studies and NMR assay of coumarins and neoflavanones derivatives as potential inhibitors of acetylcholinesterase | 10.1016/j.compbiolchem.2020.107293 | 2020 |
| Water Bridges Play a Key Role in the Affinity and Selectivity for the Malarial Protease Falcipain-2 | 10.1021/acs.jcim.0c00294 | 2020 |
| Enzymatic and structural properties of human glutamine:fructose-6-phosphate amidotransferase 2 (hGFAT2) | 10.1074/jbc.ra120.015189 | 2020 |
| Dissecting a novel allosteric mechanism of cruzain: A computer-aided approach | 10.1371/journal.pone.0211227 | 2019 |
| Prediction of Non-Competitive Inhibitor Binding Mode Reveals Promising Site for Allosteric Modulation of Falcipain-2 | 10.1021/acs.jpcb.9b05021 | 2019 |
| Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations | 10.1007/s10822-018-0112-3 | 2018 |
| Identification of (4-(9H-fluoren-9-yl) piperazin-1-yl) methanone derivatives as falcipain 2 inhibitors active against Plasmodium falciparum cultures | 10.1016/j.bbagen.2018.09.015 | 2018 |
| Insights into cytochrome bc1 complex binding mode of antimalarial 2-hydroxy-1,4-naphthoquinones through molecular modelling | 10.1590/0074-02760160417 | 2017 |
| Predicting binding modes of reversible peptide-based inhibitors of falcipain-2 consistent with structure-activity relationships | 10.1002/prot.25322 | 2017 |
| Alternative Model for RND-Type Efflux Pump | 10.5935/0103-5053.20160125 | 2016 |
| Unraveling HIV Protease Flaps Dynamics by Constant pH Molecular Dynamics Simulations | 10.1016/j.jsb.2016.06.006 | 2016 |
| Insight on Mutation-Induced Resistance from Molecular Dynamics Simulations of the Native and Mutated CSF-1R and KIT | 10.1371/journal.pone.0160165 | 2016 |
| Non-competitive Inhibitor of Nucleoside Hydrolase from Leishmania donovani Identified by Fragment-based Drug Discovery | 10.1039/C6RA15143D | 2016 |
| Machine Learning and Applications in Bioinformatics. | 2016 | |
| Dataset showing the impact of the protonation states on molecular dynamics of HIV protease | 10.1016/j.dib.2016.07.040 | 2016 |
| Allosteric regulation of the Plasmodium falciparum cysteine protease falcipain-2 by heme | 2015 | |
| Insights into the Interactions of Fasciola hepatica Cathepsin L3 with a Substrate and Potential Novel Inhibitors through In Silico Approaches | 10.1371/journal.pntd.0003759 | 2015 |
| Molecular Dynamics Simulations of the Free and Inhibitor-Bound Cruzain Systems in Aqueous Solvent: Insights on the Inhibition Mechanism in Acidic pH | 10.1080/07391102.2015.1100139 | 2015 |
| Anti-Prion Activity of a Panel of Aromatic Chemical Compounds: In Vitro and In Silico Approaches | 10.1371/journal.pone.0084531 | 2014 |
| Differential Effects of CSF-1R D802V and KIT D816V Homologous Mutations on Receptor Tertiary Structure and Allosteric Communication | 10.1371/journal.pone.0097519 | 2014 |
| Structural and Functional Analysis of a Platelet-Activating Lysophosphatidylcholine of Trypanosoma cruzi | 10.1371/journal.pntd.0003077 | 2014 |
| Impact of M36I polymorphism on the interaction of HIV-1 protease with its substrates: insights from molecular dynamics | 10.1186/1471-2164-15-s7-s5 | 2014 |
| New treatments for Chagas disease and the relationship between chagasic patients and cancers | 2014 | |
| Conformational Changes in Human Hsp70 Induced by High Hydrostatic Pressure Produce Oligomers with ATPase Activity but without Chaperone Activity | 10.1021/bi500004q | 2014 |
| Desenvolvimento de ferramentas multimidiáticas para o ensino de bioquímica | 2013 | |
| Receptores Acoplados à Proteína G | 2013 | |
| Structural analysis of Pla protein from the biological warfare agent Yersinia pestis : docking and molecular dynamics of interactions with the mammalian plasminogen system | 10.1080/07391102.2012.703072 | 2013 |
| The role of helices 5 and 6 on the human β 1 -adrenoceptor activation mechanism | 10.1080/08927022.2011.616501 | 2012 |
| The Structural Dynamics of the Flavivirus Fusion Peptide?Membrane Interaction | 10.1371/journal.pone.0047596 | 2012 |
| Pharmacophore Analysis of Trypanosoma cruzi Trypanothione Reductase (TR) Complexed with Peptide Mimetic Inhibitors | 2012 | |
| GSAFold: A new application of GSA to protein structure prediction | 10.1002/prot.24120 | 2012 |
| Molecular Dynamics Simulations of Peptide Inhibitors Complexed With Trypanosoma cruzi Trypanothione Reductase | 10.1111/j.1747-0285.2012.01429.x | 2012 |
| Hybrid QM/MM Molecular Dynamics Study of Benzocaine in a Membrane Environment: How Does a Quantum Mechanical Treatment of Both Anesthetic and Lipids Affect Their Interaction | 10.1021/ct300213u | 2012 |
| Molecular dynamics simulations and QM/MM studies of the reactivation by 2-PAM of tabun inhibited human acethylcolinesterase | 10.1590/S0103-50532011000100021 | 2011 |
| Dynamical behaviour of the human ? -adrenoceptor under agonist binding | 10.1080/08927022.2011.572167 | 2011 |
| Alvos Terapêuticos na Doença de Chagas: a Tripanotiona Redutase como Foco | 2011 | |
| Conformational Variability of Organophosphorus Hydrolase upon Soman and Paraoxon Binding | 10.1021/jp208787g | 2011 |
| Free Energy Profiles along Consensus Normal Modes Provide Insight into HIV-1 Protease Flap Opening | 10.1021/ct200237u | 2011 |
| High temperatures enhance cooperative motions between CBM and catalytic domains of a thermostable cellulase: mechanism insights from essential dynamics | 10.1039/c0cp02697b | 2011 |
| Structural analysis of the N-terminal fragment of the antiangiogenic protein endostatin: A molecular dynamics study | 10.1002/prot.23096 | 2011 |
| Computational Perspectives into Plasmepsins Structure-Function Relationship: Implications to Inhibitors Design | 10.1155/2011/657483 | 2011 |
| Conformational Analysis of Toxogonine, TMB-4 and HI-6 using PM6 and RM1 methods | 10.1590/S0103-50532010000100025 | 2010 |
| Design, docking studies and molecular dynamics of new potential selective inhibitors of Plasmodium falciparum serine hydroxymethyltransferase | 10.1080/08927020903051580 | 2010 |
| The Role of Nonbonded Interactions in the Conformational Dynamics of Organophosphorous Hydrolase Adsorbed onto Functionalized Mesoporous Silica Surfaces | 10.1021/jp9083635 | 2010 |
| Consensus modes, a robust description of protein collective motions from multiple-minima normal mode analysis¿application to the HIV-1 protease | 10.1039/b919148h | 2010 |
| How does heparin prevent the pH inactivation of cathepsin B? Allosteric mechanism elucidated by docking and molecular dynamics | 10.1186/1471-2164-11-S5-S5 | 2010 |
| New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes | 10.1002/jcc.21566 | 2010 |
| Understanding the HIV-1 protease nelfinavir resistance mutation D30N in subtypes B and C through molecular dynamics simulations | 10.1016/j.jmgm.2010.05.007 | 2010 |
| Solvation of anionic water-soluble porphyrins: A computational study | 10.1002/qua.22700 | 2010 |
| Self-affine analysis of protein energy | 10.1016/j.physa.2010.03.021 | 2010 |
| Conformational selection, dynamic restriction and the hydrophobic effect coupled to stabilization of the BIR3 domain of the human X-linked inhibitor of apoptosis protein by the tetrapeptide AVPI | 10.1016/j.bpc.2010.08.005 | 2010 |
| Dissociation of molecular aggregates under high hydrostatic pressure: the influence of water structure on Benzene cluster solubility | 10.1590/S0103-50532009000700005 | 2009 |
| Molecular Dynamics Study of Biomembrane-Local Anesthetics Interactions | 10.1080/00268970902926238 | 2009 |
| Self-similarity and protein compactness | 10.1103/PhysRevE.80.041908 | 2009 |
| Predicting functional residues in Plasmodium falciparum plasmepsins by combining sequence and structural analysis with molecular dynamics simulations | 10.1002/prot.22068 | 2008 |
| Computational study of the solvation of protoporphyrin IX and its Fe 2+ complex | 10.1002/qua.21695 | 2008 |
| Studies of molecular docking between fibroblast growth factor and heparin using generalized simulated annealing | 10.1002/qua.21731 | 2008 |
| Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase | 10.1007/978-3-540-85557-6 | 2008 |
| Water solvent and local anesthetics: A computational study | 10.1002/qua.21300 | 2007 |
| Density functional and molecular dynamics simulations of local anesthetics in 0.9% NaCl solution | 10.1080/08927020701620636 | 2007 |
| Classical and quantum conformational analysis using Generalized Genetic Algorithm | 10.1016/j.physa.2005.08.062 | 2006 |
| Molecular Dynamics Simulations Applied to the Study of Subtypes of HIV-1 Protease Common to Brazil, Africa, and Asia | 10.1385/CBB:44:3:395 | 2006 |
| Generalized simulated annealing applied to protein folding studies | 10.1002/jcc.20428 | 2006 |
| Theoretical studies on water-tetracaine interaction | 10.1002/qua.20881 | 2006 |
| Molecular dynamics of the interaction of Plasmodium falciparum and human serine hydroxymethyltransferase with 5-formyl-6-hydrofolic acid analogues: design of new potential antimalarials | 10.1590/S0103-50532006000700028 | 2006 |
| A three-dimensional structure of serine hydroxymethyltransferase in complex with glycine and 5-formyl-tetrahydrofolate. Homology modeling and molecular dynamics | 10.1016/j.bpc.2004.12.002 | 2005 |
| Stochastic strategy to analyze protein folding | 10.1016/j.physa.2005.01.048 | 2005 |
| Structural analysis of Pla protein from Y. pestis: Docking and molecular dynamics of interactions with mammalian plasminogen system | 2005 | |
| The BioPAUÁ Project: A Portal for Molecular Dynamics Using Grid Environment | 2005 | |
| Mapping of important residues in interface area of Pla protein from Yersinia pestis with mammalian Plasmin(ogen) by Molecular Dynamics simulations | 2005 | |
| Binding mode of e-64 to Malaria and Chagas disease cysteine proteases | 2005 | |
| Peptide conformational search using Generalized Simulated Annealing method | 2005 | |
| Nonspecific interaction forces at water-membrane interface by forced molecular dynamics simulations | 10.1002/jcc.10163 | 2003 |
| Molecular dynamics simulations of a DPPC bilayer with a GROMOS parameter set optimized for long alkanes | 2003 | |
| A Grid Alternative Solution for Protein Folding Studies Applications | 2003 | |
| Molecular Modeling and Dynamics of the Sodium Channel Inactivation Gate | 10.1016/S0006-3495(02)75477-5 | 2002 |
| New Stochastic Strategy to Analyze Helix Folding | 10.1016/S0006-3495(02)75471-4 | 2002 |
| Multifractality, Levinthal paradox, and energy hypersurface | 10.1103/PhysRevE.63.020901 | 2001 |
| Molecular dynamics of the sodium channel inactivation gate in a dielectric discontinuity medium | 2001 | |
| Polarization effects on peptide conformations at water-membrane interface by molecular dynamics simulation | 10.1002/(SICI)1096-987X(19990715)20:9<971::AID-JCC8>3.0.CO;2-0 | 1999 |
| Molecular dynamics simulation of alfa-melanocyte stimulating hormone in a water-membrane model interfaces | 10.1007/s002490050232 | 1999 |
| Stochastic molecular optimization using generalized simulated annealing | 10.1002/(SICI)1096-987X(19980430)19:6<647::AID-JCC6>3.0.CO;2-R | 1998 |
| Molecular Dynamics Simulations of Peptide-Membrane Interactions | 1997 | |
| Molecular dynamics of peptides at membrane-water interfaces | 1996 | |
| On the contribution of electon transfer reactions to the quenching of triptophan fluorescence | 10.1063/1.469846 | 1995 |
| Molecular Dynamics Simulations of Signal Sequences at a Membrane/Water Interface | 10.1021/j100040a044 | 1995 |
| Molecular dynamics at a cytoplasm/membrane interface of a signal sequence from an e.coli maltoporin | 1994 | |
| EPR study of melanin-protein interaction: Photoinduced free radicals and progressive microwave power saturation | 10.1016/1011-1344(92)80014-m | 1992 |
| Kinetic studies of the photodecomposition of dipyridamole in solution: Interaction with lysophosphatidylcholine and bovine serum albumin | 10.1016/0584-8539(92)80150-u | 1992 |
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 |