Browsing by Author Skaf, MS

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PreviewIssue DateTitleAuthor(s)AdvisorType
2013Plant Biomass Recalcitrance: Effect of Hemicellulose Composition on Nanoscale Forces that Control Cell Wall StrengthSilveira, RL; Stoyanov, SR; Gusarov, S; Skaf, MS; Kovalenko, A-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
2000Dielectric relaxation of supercritical water: Computer simulationsSkaf, MS; Laria, D-Artigo de periódico
2000Nonlocal dielectric functions of molecular liquids from computer simulationsSkaf, MS-Artigo de periódico
2014Noncovalent Interaction with Graphene Oxide: The Crucial Role of Oxidative DebrisColuci, VR; Martinez, DST; Honorio, JG; de Faria, AF; Morales, DA; Skaf, MS; Alves, OL; Umbuzeiro, GA-Artigo de periódico
2002Path integral-molecular dynamics study of electronic states in supercritical waterLaria, D; Skaf, MS-Artigo de periódico
2008Molecular dynamics simulations of AOT-water/formamide reverse micelles: Structural and dynamical propertiesPomata, MHH; Laria, D; Skaf, MS; Elola, MD-Artigo de periódico
1997Molecular dynamics simulations of dielectric properties of dimethyl sulfoxide: Comparison between available potentialsSkaf, MS-Artigo de periódico
1999Molecular association between water and dimethyl sulfoxide in solution: A molecular dynamics simulation studyBorin, IA; Skaf, MS-Artigo de periódico
1998Molecular association between water and dimethyl sulfoxide in solution: the librational dynamics of waterBorin, IA; Skaf, MS-Artigo de periódico
2005Molecular-dynamics simulations of dimethylsulfoxide-methanol mixturesVechi, SM; Skaf, MS-Artigo de periódico
2006Molecular dynamics simulations of ligand dissociation from thyroid hormone receptors: Evidence of the likeliest escape pathway and its implications for the design of novel ligandsMartinez, L; Webb, P; Polikarpov, I; Skaf, MS-Artigo de periódico
2002Molecular dynamics Simulations of the squarate dianion (C4O42-) in aqueous solutionMartins, LR; Ribeiro, MCC; Skaf, MS-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
2005Molecular dynamics simulations reveal multiple pathways of ligand dissociation from thyroid hormone receptorsMartinez, L; Sonoda, MT; Webb, P; Baxter, JD; Skaf, MS; Polikarpov, I-Artigo de periódico
1999Molecular dynamics study of dielectric properties of water-dimethyl sulfoxide mixturesSkaf, MS-Artigo de periódico
2006Molecular dynamics simulations of neutral chlorpromazine in zwitterionic phospholipid monolayersPickholz, M; Oliveira, ON; Skaf, MS-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