Browsing by Author Skaf, Munir S

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Showing results 1 to 19 of 19
PreviewIssue DateTitleAuthor(s)AdvisorType
2016Molecular Dynamics Of The Bacillus Subtilis Expansin Exlx1: Interaction With Substrates And Structural Basis Of The Lack Of Activity Of Mutants.Silveira, Rodrigo L; Skaf, Munir S-Artigo de periódico
2016Allosteric Pathways In The Pparγ-rxrα Nuclear Receptor Complex.Ricci, Clarisse G; Silveira, Rodrigo L; Rivalta, Ivan; Batista, Victor S; Skaf, Munir S-Artigo de periódico
2015Molecular Recognition Of Pparγ By Kinase Cdk5/p25: Insights From A Combination Of Protein-protein Docking And Adaptive Biasing Force Simulations.Mottin, Melina; Souza, Paulo C T; Skaf, Munir S-Artigo de periódico
2010On The Denaturation Mechanisms Of The Ligand Binding Domain Of Thyroid Hormone Receptors.Martínez, Leandro; Souza, Paulo C T; Garcia, Wanius; Batista, Fernanda A H; Portugal, Rodrigo V; Nascimento, Alessandro S; Nakahira, Marcel; Lima, Luis M T R; Polikarpov, Igor; Skaf, Munir S-Artigo de periódico
2005Molecular-dynamics Simulations Of Dimethylsulfoxide-methanol Mixtures.Vechi, Sérgio M; Skaf, Munir S-Artigo de periódico
2011Mechanisms Of The Rotational Dynamics Of C70 In C70-cubane Heteromolecular Crystals.Faro, Tatiana M C; Skaf, Munir S; Coluci, Vitor R-Artigo de periódico
2005A Simulation Study Of The Optical Kerr Effect In Liquid Water.Sonoda, Milton T; Vechi, Sérgio M; Skaf, Munir S-Artigo de periódico
2010A Lennard-jones Plus Coulomb Potential For Al3+ Ions In Aqueous Solutions.Faro, Tatiana M C; Thim, Gilmar P; Skaf, Munir S-Artigo de periódico
2008Only Subtle Protein Conformational Adaptations Are Required For Ligand Binding To Thyroid Hormone Receptors: Simulations Using A Novel Multipoint Steered Molecular Dynamics Approach.Martínez, Leandro; Polikarpov, Igor; Skaf, Munir S-Artigo de periódico
2009Gaining Ligand Selectivity In Thyroid Hormone Receptors Via Entropy.Martínez, Leandro; Nascimento, Alessandro S; Nunes, Fabio M; Phillips, Kevin; Aparicio, Ricardo; Dias, Sandra Martha G; Figueira, Ana Carolina M; Lin, Jean H; Nguyen, Phuong; Apriletti, James W; Neves, Francisco A R; Baxter, John D; Webb, Paul; Skaf, Munir S; Polikarpov, Igor-Artigo de periódico
2005Molecular Dynamics Simulations Reveal Multiple Pathways Of Ligand Dissociation From Thyroid Hormone Receptors.Martínez, Leandro; Sonoda, Milton T; Webb, Paul; Baxter, John D; Skaf, Munir S; Polikarpov, Igor-Artigo de periódico
2006Molecular Dynamics Simulations Of Neutral Chlorpromazine In Zwitterionic Phospholipid Monolayers.Pickholz, Mónica; Oliveira, Osvaldo N; Skaf, Munir S-Artigo de periódico
2005Optical Kerr Effect In Supercooled Water.Skaf, Munir S; Sonoda, Milton T-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 Ligands.Martínez, Leandro; Webb, Paul; Polikarpov, Igor; Skaf, Munir S-Artigo de periódico
2007Interactions Of Chlorpromazine With Phospholipid Monolayers: Effects Of The Ionization State Of The Drug.Pickholz, Mónica; Oliveira, Osvaldo N; Skaf, Munir S-Artigo de periódico
2007Carbohydrate Clustering In Aqueous Solutions And The Dynamics Of Confined Water.Sonoda, Milton T; Skaf, Munir S-Artigo de periódico
2014Polarizability Effects On The Structure And Dynamics Of Ionic Liquids.Cavalcante, Ary de Oliveira; Ribeiro, Mauro C C; Skaf, Munir S-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 Module.Prates, Érica T; Stankovic, Ivana; Silveira, Rodrigo L; Liberato, Marcelo V; Henrique-Silva, Flávio; Pereira, Nei; Polikarpov, Igor; Skaf, Munir S-Artigo de periódico
2012Cellulose-builder: A Toolkit For Building Crystalline Structures Of Cellulose.Gomes, Thiago C F; Skaf, Munir S-Artigo de periódico