Browsing by Subject molecular dynamics

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Showing results 1 to 19 of 19
PreviewIssue DateTitleAuthor(s)AdvisorType
2003Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and dockingMartinez, JM; Martinez, L-Artigo de periódico
2007Interactions of chlorpromazine with phospholipid monolayers: Effects of the ionization state of the drugPickholz, M; Oliveira, ON; Skaf, MS-Artigo de periódico
2013Joint X-ray crystallographic and molecular dynamics study of cellobiohydrolase I from Trichoderma harzianum: deciphering the structural features of cellobiohydrolase catalytic activityTextor, LC; Colussi, F; Silveira, RL; Serpa, V; de Mello, BL; Muniz, JRC; Squina, FM; Pereira, N; Skaf, MS; Polikarpov, I-Artigo de periódico
2011Is there nascent structure in the intrinsically disordered region of troponin I?Julien, O; Mercier, P; Allen, CN; Fisette, O; Ramos, CHI; Lague, P; Blumenschein, TMA; Sykes, BD-Artigo de periódico
2000Diffusion of Pd clusters on Pd(111) surfaces: a molecular dynamics studyda Silva, EZ; Antonelli, A-Artigo de periódico
2007Molecular dynamics simulation of single wall carbon nanotubes polymerization under compressionBraga, SF; Galvao, DS-Artigo de periódico
2013Molecular Mechanism of Peroxisome Proliferator-Activated Receptor alpha Activation by WY14643: a New Mode of Ligand Recognition and Receptor StabilizationBernardes, A; Souza, PCT; Muniz, JRC; Ricci, CG; Ayers, SD; Parekh, NM; Godoy, AS; Trivella, DBB; Reinach, P; Webb, P; Skaf, MS; Polikarpov, I-Artigo de periódico
2011CHARMM Force Field Parameterization of RosiglitazoneHansson, A; Souza, PCT; Silveira, RL; Martinez, L; Skaf, MS-Artigo de periódico
2011CHARMM-Based Parameterization of Neutral Articaine-A Widely Used Local AnestheticPrates, ET; Souza, PCT; Pickholz, M; Skaf, MS-Artigo de periódico
2006The acidic domain of hnRNPQ (NSAP1) has structural similarity to Barstar and binds to Apobec1Quaresma, AJC; Oyama, S; Barbosa, JARG; Kobarg, J-Artigo de periódico
2010Neon atoms oscillating inside carbon and boron nitride nanotubes: a fully atomistic molecular dynamics investigationGarcez, KM; Moreira, E; Azevedo, DL; Galvao, DS-Artigo de periódico
2010The Mobility of Chondroitin Sulfate in Articular and Artificial Cartilage Characterized by C-13 Magic-Angle Spinning NMR SpectroscopyScheidt, HA; Schibur, S; Magalhaes, A; de Azevedo, ER; Bonagamba, TJ; Pascui, O; Schulz, R; Reichert, D; Huster, D-Artigo de periódico
2011van der Waals potential barrier for cobaltocene encapsulation into single-walled carbon nanotubes: classical molecular dynamics and ab initio studyAzevedo, DL; Sato, F; de Sousa, AG; Galvao, DS-Artigo de periódico
2001Host/guest simulation of fluorescent probes adsorbed into low-density polyethylene, 1 - Excimer formation of 1,3-Di(1-pyrenyl)propanePozuelo, J; Atvars, TDZ; Bravo, J; Baselga, J-Artigo de periódico
2008Structural studies of prephenate dehydratase from Mycobacterium tuberculosis H37Rv by SAXS, ultracentrifugation, and computational analysisVIVAN, Ana Luiza; CACERES, Rafael Andrade; ABREGO, Jose Ramon Beltran; BORGES, Julio Cesar; NETO, Joao Ruggiero; RAMOS, Carlos H. I.; AZEVEDO JR., Walter Filgueira de; BASSO, Luiz Augusto; SANTOS, Diogenes Santiago-Artigo de periódico
2010The Mobility of Chondroitin Sulfate in Articular and Artificial Cartilage Characterized by (13)C Magic-Angle Spinning NMR SpectroscopySCHEIDT, Holger A.; SCHIBUR, Stephanie; MAGALHAES, Alvicler; AZEVEDO, Eduardo R. de; BONAGAMBA, Tito J.; PASCUI, Ovidiu; SCHULZ, Ronny; REICHERT, Detlef; HUSTER, Daniel-Artigo de periódico
2009PACKMOL: A Package for Building Initial Configurations for Molecular Dynamics SimulationsMARTINEZ, L.; ANDRADE, R.; BIRGIN, E. G.; MARTINEZ, J. M.-Artigo de periódico
1-Dec-2012A função radial de distribuição de pares para sistemas Lennard-Jones bidimensionaisMadeira, Lucas; Vitiello, Silvio A.-Artigo de periódico
2013Bending of Layer-by-Layer Films Driven by an External Magnetic FieldMiyazaki, CM; Riul, A; Dos Santos, DS; Ferreira, M; Constantino, CJL; Pereira-da-Silva, MA; Paupitz, R; Galvao, DS; Oliveira, ON-Artigo de periódico