Protein Structure and Dynamics in Ionic Liquids. Insights from Molecular Dynamics Simulation Studies von Micaêlo, Nuno M, Soares, Cláudio M

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Modeling of Peptaibol Analogues Incorporating Nonpolar α,α-Dialkyl Glycines Shows Improved α‑Helical Preorganization and Spontaneous Membrane Permeation von Castro, Tarsila G, Micaêlo, Nuno M

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Conformational and Thermodynamic Properties of Non-Canonical α,α-Dialkyl Glycines in the Peptaibol Alamethicin: Molecular Dynamics Studies von Castro, Tarsila G, Micaêlo, Nuno M

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Modeling hydration mechanisms of enzymes in nonpolar and polar organic solvents von Micaêlo, Nuno M., Soares, Cláudio M.

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Modeling the secondary structures of the peptaibols antiamoebin I and zervamicin II modified with D-amino acids and proline analogues von Castro, Tarsila G., Micaêlo, Nuno M., Melle-Franco, Manuel

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Molecular modeling of hair keratin/peptide complex: Using MM-PBSA calculations to describe experimental binding results von Azoia, Nuno G., Fernandes, Margarida M., Micaêlo, Nuno M., Soares, Cláudio M., Cavaco-Paulo, Artur

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Influence of anion–water interactions on the behaviour of lipases in room temperature ionic liquids von Mohammad Latif, Muhammad Alif, Micaêlo, Nuno M., Abdul Rahman, Mohd Basyaruddin

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NMR and molecular modelling studies on elastase inhibitor-peptides for wound management von Barros, Sandra Cerqueira, Louro, Ricardo O., Micaêlo, Nuno M., Martins, José Alberto, Marcos, João Carlos, Cavaco-Paulo, Artur

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DNA Molecular Solvation in Neat Ionic Liquids von Cardoso, Lena, Micaelo, Nuno M.

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Parametrization of 1-Butyl-3-methylimidazolium Hexafluorophosphate/Nitrate Ionic Liquid for the GROMOS Force Field von Micaelo, Nuno M, Baptista, António M, Soares, Cláudio M

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Short-Range Order in Polyethylene Melts: Identification and Characterization von Martins, José A, Micaelo, Nuno M

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Advances in the Synthesis of Homochiral (−)-1-Azafagomine and (+)-5-epi-1-Azafagomine. 1-N-Phenyl Carboxamide Derivatives of both Enantiomers of 1-Azafagomine: Leads for the Synthe... von Alves, M. José, Costa, Flora T, Duarte, Vera C. M, Fortes, Antonio Gil, Martins, José A, Micaelo, Nuno M

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Water Dependent Properties of Cutinase in Nonaqueous Solvents: A Computational Study of Enantioselectivity von Micaelo, Nuno M., Teixeira, Vitor H., Baptista, António M., Soares, Cláudio M.

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Tetrapyrrole binding affinity of the murine and human p22HBP heme-binding proteins von Micaelo, Nuno M., Macedo, Anjos L., Goodfellow, Brian J., Félix, Vítor

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Modeling hydration mechanisms of enzymes in nonpolar and polar organic solvents von Micaêlo, Nuno M., Soares, Cláudio M.

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single hemoglobin gene in Myrica gale retains both symbiotic and non-symbiotic specificity von Heckmann, A.B, Hebelstrup, K.H, Larsen, K, Micaelo, N.M, Jensen, E.O

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Protein thermal stabilization by charged compatible solutes: Computational studies in rubredoxin from Desulfovibrio gigas von Micaelo, Nuno M., Victor, Bruno L., Soares, Cláudio M.

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Effect of immobilization support, water activity, and enzyme ionization state on cutinase activity and enantioselectivity in organic media von Vidinha, P, Harper, N, Micaelo, N.M, Lourenco, N.M.T, Gomes da Silva, M.D.R, Cabral, J.M.S, Afonso, C.A.M, Soares, C.M, Barreiros, S

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New cyclic RGD peptides: synthesis, characterization, and theoretical activity towards alpha sub(v) beta sub(3) integrin von Vilaca, Helena, Ferreira, Paula MT, Micaelo, Nuno M

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New cyclic RGD peptides: synthesis, characterization, and theoretical activity towards αvβ3 integrin von Vilaça, Helena, Ferreira, Paula M.T., Micaelo, Nuno M.

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