Browsing by Author Skaf, MS

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PreviewIssue DateTitleAuthor(s)AdvisorType
1997Static dielectric properties of a model for liquid DMSOSkaf, MS-Artigo de periódico
2003Computer simulations of the solvation dynamics of Coumarin 153 in dimethylsulfoxideMartins, LR; Skaf, MS-Artigo de periódico
2013Aspergillus niger beta-Glucosidase Has a Cellulase-like Tadpole Molecular Shape INSIGHTS INTO GLYCOSIDE HYDROLASE FAMILY 3 (GH3) beta-GLUCOSIDASE STRUCTURE AND FUNCTIONLima, MA; Oliveira-Neto, M; Kadowaki, MAS; Rosseto, FR; Prates, ET; Squina, FM; Leme, AFP; Skaf, MS; Polikarpov, I-Artigo de periódico
2005A simulation study of the optical Kerr effect in liquid waterSonoda, MT; Vechi, SM; Skaf, MS-Artigo de periódico
2011Mechanisms of the rotational dynamics of C-70 in C-70-cubane heteromolecular crystalsFaro, TMC; Skaf, MS; Coluci, VR-Artigo de periódico
2008Rotational dynamics and polymerization of C(60) in C(60)-cubane crystals: A molecular dynamics studyColuci, VR; Sato, F; Braga, SF; Skaf, MS; Galvao, DS-Artigo de periódico
2010A Lennard-Jones plus Coulomb potential for Al3+ ions in aqueous solutionsFaro, TMC; Thim, GP; Skaf, MS-Artigo de periódico
2005Molecular-dynamics simulations of dimethylsulfoxide-methanol mixturesVechi, SM; Skaf, MS-Artigo de periódico
2001Structural and electronic characterization of chemical and conformational defects in conjugated polymersWong, KF; Skaf, MS; Yang, CY; Rossky, PJ; Bagchi, B; Hu, DH; Yu, J; Barbara, PF-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
2005Optical kerr effect in supercooled waterSkaf, MS; Sonoda, MT-Artigo de periódico
2011Helix 12 Dynamics and Thyroid Hormone Receptor Activity: Experimental and Molecular Dynamics Studies of Ile280 MutantsSouza, PCT; Barra, GB; Velasco, LFR; Ribeiro, ICJ; Simeoni, LA; Togashi, M; Webb, P; Neves, FAR; Skaf, MS; Martinez, L; Polikarpov, I-Artigo de periódico
2003Polarizability anisotropy relaxation in pure and aqueous dimethylsulfoxideSkaf, MS; Vechi, SM-Artigo de periódico
2014Polarizability effects on the structure and dynamics of ionic liquidsCavalcante, AD; Ribeiro, MCC; Skaf, MS-Artigo de periódico
2013X-ray Structure and Molecular Dynamics Simulations of Endoglucanase 3 from Trichoderma harzianum: Structural Organization and Substrate Recognition by Endoglucanases That Lack Cellulose Binding ModulePrates, ET; Stankovic, I; Silveira, RL; Liberato, MV; Henrique-Silva, F; Pereira, N; Polikarpov, I; Skaf, MS-Artigo de periódico
2004Solvation dynamics at the water/zirconia interface: Molecular dynamics simulationsMartins, LR; Skaf, MS; Ladanyi, BM-Artigo de periódico
1999Solvation response of polar liquid mixtures: Water-dimethylsulfoxideLaria, D; Skaf, MS-Artigo de periódico
2003Solvation of excess electrons in supercritical ammoniaRodriguez, J; Skaf, MS; Laria, D-Artigo de periódico
2005Solvation of coumarin 314 at water/air interfaces containing anionic surfactants. I. Low coveragePantano, DA; Sonoda, MT; Skaf, MS; Laria, D-Artigo de periódico