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OLIVEIRA, GUEDMILLER S. ; IERICH, JÉSSICA C.M. ; MORAES, ARIANA S. ; SILVA, GISELA B.R.F. ; LIU, YANYUN ; DE S. NETO, LOURIVAL R. ; FARIA, ROBERTO R. ; Franca, Eduardo F. ; Freitas, Luiz C.G. ; BRIGGS, JAMES M. ; LEITE, FABIO L. . Immobilization and unbinding investigation of the antigen-antibody complex using theoretical and experimental techniques. JOURNAL OF MOLECULAR GRAPHICS & MODELLING , v. 86, p. 219-227, 2019.
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IERICH, JÉSSICA CRISTIANE MAGALHÃES ; BRUM, DORALINA GUIMARÃES ; MORAES, ARIANA DE SOUZA ; HIGA, AKEMI MARTINS ; GARCIA, PÂMELA SOTO ; MIYAZAKI, CELINA MASSUMI ; FERREIRA, MARYSTELA ; PERONI, LUÍS ANTONIO ; OLIVEIRA, GUEDMILLER SOUZA DE ; FRANCA, EDUARDO DE FARIA ; Freitas, Luiz Carlos Gomide ; LEITE, FABIO LIMA . Antibody-mediated biorecognition of myelin oligodendrocyte glycoprotein: computational evidence of demyelination-related epitopes. Scientific Reports , v. 9, p. 2033, 2019.
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COLOMBARI, FELIPPE M. ; de Moura, André F. ; Freitas, Luiz Carlos G. . Chiral recognition of liquid phase dimers from gamma-valerolactone racemic mixture. JOURNAL OF MOLECULAR MODELING , v. 24, p. 215, 2018.
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AMARANTE, A. M. ; OLIVEIRA, G. S. ; BUENO, C. C. ; CUNHA, R. A. ; IERICH, J. C. M. ; Freitas, Luiz C.G. ; Franca, E ; OLIVEIRA JR, OSVALDO N. ; Leite, Fábio L. . Modeling the coverage of an AFM tip by enzymes and its application in nanobiosensors. Journal of Molecular Graphics & Modelling , v. 53, p. 100-104, 2014.
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OLIVEIRA, GUEDMILLER S. ; LEITE, FABIO L. ; AMARANTE, ADRIANO M. ; Franca, Eduardo F. ; Cunha, Richard A. ; BRIGGS, JAMES M. ; Freitas, Luiz C.G. . Molecular Modeling of Enzyme Attachment on AFM Probes. Journal of Molecular Graphics & Modelling , v. 45, p. 128-136, 2013.
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Pires, J M ; de Moura, André Farias ; Freitas, Luiz C. G. . INVESTIGATING THE SPONTANEOUS FORMATION OF SDS MICELLE IN AQUEOUS SOLUTION USING A COARSE-GRAINED FORCE FIELD. Química Nova (Impresso) , v. 35, p. 978-981, 2012.
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Pires, José M. ; de Oliveira, Osmair V. ; Freitas, Luiz C.G. ; Filho, Eloi A. da S. ; Prado, Adilson R. . Molecular dynamic simulations of polyacrylonitrile in ethanol and water solvents. COMPUT THEOR CHEM , v. 995, p. 75-78, 2012.
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OLIVEIRA, O. V. ; SANTOS, J. D. ; FREITAS, L. C. G. . Molecular dynamics simulation of the gGAPDH?NAD+ complex from Trypanosoma cruzi. Molecular Simulation (Print) , v. 1, p. 1-8, 2012.
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Franca, Eduardo F. ; Leite, Fábio L. ; Cunha, Richard A. ; Oliveira Jr., Osvaldo N. ; Freitas, Luiz C. G. . Designing an enzyme-based nanobiosensor using molecular modeling techniques. PCCP. Physical Chemistry Chemical Physics (Print) , v. 13, p. 8894-8899, 2011.
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Franca, Eduardo F. ; Freitas, Luiz C. G. ; Lins, Roberto D. . Chitosan molecular structure as a function of N-acetylation. Biopolymers (New York. Print) , v. 95, p. 448-460, 2011.
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de Moura, André Farias ; Bernardino, Kalil ; de Oliveira, Osmair Vital ; Freitas, Luiz Carlos Gomide . Solvation of Sodium Octanoate Micelles in Concentrated Urea Solution Studied by Means of Molecular Dynamics Simulations. Journal of Physical Chemistry. B , v. 115, p. 14582-14590, 2011.
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Oliveira, Osmair V. ; Freitas, Luiz C. G. ; Straatsma, T. P. ; Lins, Roberto D. . Interaction between the CBM of Cel9A from Thermobifida fusca and cellulose fibers. JMR. Journal of Molecular Recognition , v. 22, p. 38-45, 2009.
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da Silva, Rafael O. ; Conti, Tiago G. ; de Moura, André F. ; Stroppa, Daniel G. ; Freitas, Luiz C. G. ; Ribeiro, Caue ; Camargo, Emerson R. ; Longo, Elson ; Leite, Edson R. . Antimony-Doped Tin Oxide Nanocrystals: Synthesis and Solubility Behavior in Organic Solvents. ChemPhysChem , v. 10, p. 841-846, 2009.
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FREITAS, L. C. G. . DIADORIM: a Monte Carlo Program for Liquid Simulations including Quantum Mechanics and Molecular Mechanics (QM/MM) Facilities: Applications to Liquid Ethanol. Journal of the Brazilian Chemical Society (Impresso) , v. 20, p. 1541-1548, 2009.
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Franca, Eduardo F. ; Lins, Roberto D. ; FREITAS, L. C. G. ; Straatsma, T. P. . Characterization of Chitin and Chitosan Molecular Structure in Aqueous Solution. Journal of Chemical Theory and Computation , v. 4, p. 2141-2149, 2008.
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Barlette, Vania Elisabeth ; Freitas, Luiz Carlos Gomide ; Guadagnini, Paulo Henrique ; Bertran, Celso Aparecido . Hydration properties of Al3+ ion using empirical ion-water potential by Monte Carlo simulation. Journal of the Brazilian Chemical Society , v. 19, p. 101-110, 2008.
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SILVA, L. B. ; FREITAS, L. C. G. . 'Structural and thermodynamic properties of liquid ethylene carbonate and propylene carbonate by Monte Carlo simulations'. Journal of Molecular Structure. Theochem , v. 806, p. 23-34, 2007.
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Oliveira, O. V. ; MOURA, A. F. ; FREITAS, L. C. G. . A mechanism for the stabilization of the secondary structure of a peptide by liquid ethylene glycol and its aqueous solutions. Journal of Molecular Structure. Theochem , v. 808, p. 93-96, 2007.
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ELISA, ; Sidney R. Santana ; HUNENBERGER, P. H. ; FREITAS, L. C. G. ; LONGO, R. L. . On the relative stabilities of alkali cations 222 cryptates in the gas phase and in water-methanol solution. Journal of Molecular Modeling , v. 13, p. 1017-1025, 2007.
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Pereira, Cristina S. ; Moura, André F. de ; Freitas, Luiz Carlos G. ; Lins, Roberto D. . Revisiting the internal conformational dynamics and solvation properties of cyclodextrins. Journal of the Brazilian Chemical Society , v. 18, p. 951-961, 2007.
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Prado, CER ; FREITAS, L. C. G. . Molecular Dynamics Simulation of the rom-temperature ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate. Journal of Molecular Structure. Theochem , v. 847, p. 93-100, 2007.
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DEMOURA, A ; FREITAS, L. C. G. . Molecular dynamics simulation of the sodium octanoate micelle in aqueous solution. Chemical Physics Letters , v. 411, p. 474-478, 2005.
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Vital de Oliveira, Osmair ; Gomide Freitas, Luiz Carlos . Molecular dynamics simulation of liquid ethylene glycol and its aqueous solution. Journal of Molecular Structure. Theochem , v. 728, p. 179-187, 2005.
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Pereira, Cristina S. ; Lins, Roberto D. ; Chandrasekhar, Indira ; Freitas, Luiz Carlos G. ; Hünenberger, Philippe H. . Interaction of the Disaccharide Trehalose with a Phospholipid Bilayer: A Molecular Dynamics Study. Biophysical Journal , v. 86, n.4, p. 2273-2285, 2004.
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Bertran, Celso A. ; Cirino, José J. V. ; Freitas, Luiz C. G. . Theoretical Studies of Concentrated Aqueous Urea Solutions Using Computacional Monte Carlo Simulation. Journal of the Brazilian Chemical Society , v. 13, p. 238-244, 2002.
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Costa, M ; FREITAS, L. C. G. . Structure activity relationship between calculated molecular properties and biological activities against Leishmania donovani of the natural neolignan analogues studied with pattern recognition techniques: a possible explanation for the activity/inactivity of some neolignans. Journal of Molecular Structure. Theochem , v. 543, p. 147-156, 2001.
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Gomide Freitas, L ; FREITAS, L. C. G. . Theoretical studies of liquids by computer simulations: The water-acetone mixture. Journal of Molecular Liquids , Holland, v. 79, n.1, p. 1-15, 1999.
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CORDEIRO, J. M. M. ; FREITAS, L. C. G. . Study Of Water-Dimethylformamide Interaction By Computer Simulation. Zeitschrift für Naturforschung. B, A journal of Chemical Sciences , Germany, v. 54, n.2, p. 110-116, 1999.
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FREITAS, L. C. G. . Premio Nobel de Quimica Em 1998: Walter Kohn e John A. Pople. Química Nova (Impresso) , Brasil, v. 22, n.2, p. 293-297, 1999.
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BARLETTE, V. E. ; FREITAS, L. C. G. . Termodinamica Estatistica de Liquidos Com O Metodo de Monte Carlo.I Metodologia. Química Nova (Impresso) , Brasil, v. 22, n.2, p. 254-262, 1999.
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Belletato, Paulo ; Carlos Gomide Freitas, Luiz ; Arêas, Elizabeth P. G. ; Sergio Santos, Paulo . Computer simulation of liquid tetramethylurea and its aqueous solution. PCCP. Physical Chemistry Chemical Physics , v. 1, p. 4769-4776, 1999.
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Freitas, Luiz C.G. . Prêmio Nobel de Química 1998: Walter Kohn e John A Pople. Química Nova na Escola (Impresso) , v. 8, p. 1-4, 1998.
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FREITAS, L. C. G. ; VANIA, E. B. ; FABIO, L. L. G. ; CARLOS, G. F. L. . Monte Carlo Study Of Structural And Thermodynamical Properties Of Liquid Chloroform Using A Five Site Model. Molecular Engineering , Holland, v. 7, p. 439-455, 1997.
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Curran, D ; FREITAS, L. C. G. . Rotational features of carbon-nitrogen bonds in axially chiral o-tert-butyl anilides and related molecules. Potential substrates for the 'prochiral auxiliary' approach to asymmetric synthesis. Tetrahedron. Asymmetry , USA, v. 8, n.23, p. 3955-3975, 1997.
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FREITAS, L. C. G. ; FREITAS, L. C. G. ; SILVA, L. B. ; FATIMA, B. L. . Calculo da Energia Livre de Solvatacao de Ions e Moleculas Neutras Utilizando O Metodo de Monte Carlo. Química Nova (Impresso) , v. 19, n.2, p. 166, 1996.
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FREITAS, L. C. G. ; SINOTI, A. L. L. ; POLITI, J. R. S. ; FREITAS, L. C. G. . Monte Carlo Simulation Of Water-Pyridine Mixtures. Journal of the Brazilian Chemical Society (Impresso) , Brasil, v. 7, n.2, p. 133-141, 1996.
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Sinoti, A ; FREITAS, L. C. G. . Theoretical studies of liquids by computer simulations: the methanol-pyridine mixture. Journal of Molecular Structure. Theochem , v. 366, p. 249-258, 1996.
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Freitas, L ; FREITAS, L. C. G. . Monte Carlo simulation of water-tetrahydrofuran mixtures. Journal of Molecular Structure. Theochem (Print) , Holand, v. 335, p. 189-195, 1995.
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FREITAS, L. C. G. ; FREITAS, L. C. G. ; BOTELHO, L. F. . Calculo de Propriedades Termodinamicas de Liquidos Via Simulacao Computacional. Química Nova (Impresso) , v. 17, n.6, p. 489, 1994.
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FREITAS, L. C. G. ; FREITAS, L. C. G. . Monte Carlo Simulation Of The Binary Mixture Water-Methanol. Journal of Molecular Structure. Theochem (Print) , HOLLAND, v. 282, p. 151, 1993.
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Freitas, Luiz Carlos Gomide ; Longo, Ricardo Luiz ; Simas, Alfredo Mayall . Reaction-field?supermolecule approach to calculation of solvent effects. Journal of the Chemical Society, Faraday Transactions , Inglaterra, v. 88, n.2, p. 189, 1992.
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BOTELHO, L. F. ; FREITAS, L. C. G. . Monte Carlo Simulation of Liquid p-Xylene. Journal of the Brazilian Chemical Society (Impresso) , v. 2, p. 98-101, 1991.
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LONGO, R. L. ; FREITAS, L. C. G. . Ademine - Thymine Proton Relay: Electric Field... Point Mutation Dna.. International Journal of Quantum Chemistry , v. 17, p. 35-44, 1990.
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FREITAS, L. C. G. ; CASS, B. Q. S. A. ; FREITAS, L. C. G. M. R. ; LONGO, R. L. ; MALVESTITI, I. . Structural Investigations Of Gossypol Schiff' Bases.. Journal of the Brazilian Chemical Society (Impresso) , v. 1, n.3, p. 128-133, 1990.
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FREITAS, L. C. G. ; SBERRINGTON, K. A. ; KINGSTON, A. E. . The Variation Of Electron-Photon Coincidence Parameters 'Lambda And Qui For Electron.... Journal of Physics. B, Atomic, Molecular and Optical Physics , v. 20, p. 397-403, 1987.
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BERRINGTON, K. A. ; ION, W. C. ; FREITAS, L. C. G. ; KINGSTON, A. E. . A 19-State R-Matrix Calculation Of The Electron-Photon Coincidence Parameters.... Journal of Physics. B, Atomic, Molecular and Optical Physics , v. 20, p. 685-690, 1987.
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FREITAS, L. C. G. ; BOTELHO, L. F. L. M. . Elastic Scattering O Low Energy Electron By Hydrongen Molecule.. Brazilian Journal of Physics (Impresso) , v. 17, n.2, p. 295-301, 1987.
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FREITAS, L. C. G. . Gas Phase Proton Affinities Of Oxirane And Thiirane Moleculer: An Initio Study.. Química Nova (Impresso) , v. 111, p. 37-40, 1987.
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BERRINGTON, K. A. ; BURKE, P. G. ; FREITAS, L. C. G. ; KINGSTON, A. E. . Electron Excitation Form 1(1s), 2(3s) And States Of Helium.. Journal of Physics. B, Atomic, Molecular and Optical Physics , v. 18, p. 4135-4147, 1985.
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BOTELHO, L. F. L. M. ; FREITAS, L. C. G. . Vibrationally Elastic And Inelastic (0 - 1) Scatt. Of Electron By H2.... Journal of Physics. B, Atomic, Molecular and Optical Physics , v. 18, p. 633-639, 1985.
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BOTELHO, L. F. ; FREITAS, L. C. G. ; JAIN, A. L. M. ; TAYALL, S. S. . Elastic Scattering Of Int. And High Energy Electrons By CO and H2. Journal of Physics. B, Atomic, Molecular and Optical Physics , v. 17, p. 641-645, 1984.
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JAIN, A. ; FREITAS, L. C. G. ; TAYALL, S. S. L. M. . Elastic Scattering Of Int.And High Energy Electons With N2 and CO. Journal of Physics. B, Atomic, Molecular and Optical Physics , v. 17, p. 29-35, 1984.
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FREITAS, L. C. G. ; BERRINGTON, K. A. ; BURRKE, P. G. ; HIBBERT, A. ; KINGSTON, A. E. ; FAILAM, A. L. S. . An Eleven-State Electron-Helium Scattering Scattering Calculation.. Journal of Physics. B, Atomic, Molecular and Optical Physics , v. 17, p. 303-309, 1984.
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FREITAS, L. C. G. ; TAYAL, S. S. ; FREIAS, L. C. G. ; JU-TAO, L. . Electron Linear-Polyatomic-Molecule Elastic Scattering.. Journal of Physics. B, Atomic, Molecular and Optical Physics , v. 16, p. 99-106, 1983.
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FREITAS, L. C. G. ; FREITAS, L. C. G. L. M. . Incoherent-Renormalized Multcentre Potential Model.... Journal of Physics. B, Atomic, Molecular and Optical Physics , v. 16, p. 233-466, 1983.
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FREITAS, L. C. G. ; FREITAS, L. C. G. L. M. . Incoherent Renormalized Multicentre Potential Model... 'H Ind.2 Collisions. Journal of Physics. B, Atomic, Molecular and Optical Physics , v. 14, p. 4691-4700, 1981.
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FREITAS, L. C. G. ; FREITAS, L. C. G. L. M. . Incoherent Renormalized... Elastic Scattering Of Electrons.. Journal of Physics. B, Atomic, Molecular and Optical Physics , v. 14, p. 1053-1064, 1981.
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Freitas, L.C.G. ; OLIVEIRA, G. S. . Aplicações de Química Teórica no Estudo de Materiais - Métodos in silico para materiais. 1a. ed. São Carlos: EdUFScar, 2018. v. 300. 244p .
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Amarante, A.M. ; Oliveira, G.S. ; Ierich, J.C.M. ; Cunha, R.A. ; Freitas, L.C.G. ; Franca, E.F. ; de Lima Leite, F. . Molecular Modeling Applied to Nanobiosystems. Nanoscience and its Applications. 1aed.: Elsevier, 2017, v. , p. 179-220.
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AMARANTE, A. M. ; OLIVEIRA, G. S. ; IERICH, J. C. M. ; CUNHA, R. A. ; Freitas, Luiz C. G. ; Franca, Eduardo F. ; LEITE, FABIO L. . Modelagem Molecular Aplicada a Nanobiossistemas. In: Alessandra Luzia Da Róz, Fabio de Lima Leite, Marystela Ferreira, Osvaldo Novais de Oliveira Jr... (Org.). Nanociência & Nanotecnologia: Príncipios e Aplicações (Grandes Áreas da Nanociência e suas Aplicações). 1ed.São Paulo: ELSEVIER, 2014, v. 2, p. 40-60.
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FREITAS, L. C. G. ; MOURA, A. F. ; BARLETTE, V. E. . O Método de Monte Carlo: Aplicações no Estudo de Líquidos e Soluções. In: Nelson H Morgon; Kaline Coutinho. (Org.). Métodos de Química Teórica e de Modelagem Molecular. São Paulo: Editora Livraria da Física, 2007, v. 01, p. 383-411.
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FREITAS, L. C. G. ; MOURA, A. F. . The solvation of sodium octanoate micelles in concentrated urea solution studied by means of molecular dynamics simul. In: Reunião Anual da Sociedade Brasileira de Química, 2007, Águas de Lindóia. Resumo da Reunião Anual da Sociedade Brasileira de Química, 2007.
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PEDRUCI, F. ; Franca, E ; FREITAS, L. C. G. . Estudo comparativo da Estabilidade Termodinâmica de Isômeros da Glutationa em Solução Aquosa Utilizando QM/MM Seqüencial. In: XIV SIMPOSIO BRASILEIRO DE QUÍMICA TEÓRICA, 2007, POÇOS DE CALDAS. RESUMO DO XIV SIMPÓSIO BRASILEIRO DE QUÍMICA TEÓRICA, 2007.
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FREITAS, L. C. G. . Educando para Agregar Valor. 2013. (Apresentação de Trabalho/Conferência ou palestra).
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Gomide Freitas, Luiz Carlos . Modelos Híbridos (clássicos & quânticos) para Estudar reatividade química. 2012. (Apresentação de Trabalho/Conferência ou palestra).
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Freitas, Luiz C.G. . Reatividade Química com Projecões 3D. 2012. (Apresentação de Trabalho/Conferência ou palestra).
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Freitas, Luiz C.G. . Ludwing Boltzmann e a Química e Física Atuais. 2012. (Apresentação de Trabalho/Seminário).
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Gomide Freitas, Luiz Carlos . Grandes nomes que influenciaram a Química: Ludwig Boltzmann. 2011. (Apresentação de Trabalho/Conferência ou palestra).