Lousa D - Search Results

1

A molecular perspective on nonaqueous biocatalysis: contributions from simulation studies.

Lousa D, Baptista AM, Soares CM. Lousa D, et al. Phys Chem Chem Phys. 2013 Sep 7;15(33):13723-36. doi: 10.1039/c3cp51761f. Epub 2013 Jul 18. Phys Chem Chem Phys. 2013. PMID: 23868469

2

Structural determinants of ligand imprinting: a molecular dynamics simulation study of subtilisin in aqueous and apolar solvents.

Lousa D, Baptista AM, Soares CM. Lousa D, et al. Protein Sci. 2011 Feb;20(2):379-86. doi: 10.1002/pro.569. Protein Sci. 2011. PMID: 21280129 Free PMC article.

3

Analyzing the molecular basis of enzyme stability in ethanol/water mixtures using molecular dynamics simulations.

Lousa D, Baptista AM, Soares CM. Lousa D, et al. J Chem Inf Model. 2012 Feb 27;52(2):465-73. doi: 10.1021/ci200455z. Epub 2012 Jan 30. J Chem Inf Model. 2012. PMID: 22243049

4

Interaction of counterions with subtilisin in acetonitrile: insights from molecular dynamics simulations.

Lousa D, Cianci M, Helliwell JR, Halling PJ, Baptista AM, Soares CM. Lousa D, et al. J Phys Chem B. 2012 May 24;116(20):5838-48. doi: 10.1021/jp303008g. Epub 2012 May 15. J Phys Chem B. 2012. PMID: 22546173

5

Insights into the structure of the diiron site of RIC from Escherichia coli.

Nobre LS, Lousa D, Pacheco I, Soares CM, Teixeira M, Saraiva LM. Nobre LS, et al. Among authors: lousa d. FEBS Lett. 2015 Feb 13;589(4):426-31. doi: 10.1016/j.febslet.2014.12.028. Epub 2015 Jan 9. FEBS Lett. 2015. PMID: 25583388 Free article.

6

Self-assembly molecular dynamics simulations shed light into the interaction of the influenza fusion Peptide with a membrane bilayer.

Victor BL, Lousa D, Antunes JM, Soares CM. Victor BL, et al. Among authors: lousa d. J Chem Inf Model. 2015 Apr 27;55(4):795-805. doi: 10.1021/ci500756v. Epub 2015 Apr 13. J Chem Inf Model. 2015. PMID: 25826469

7

Structural and Functional Characterization of an Ancient Bacterial Transglutaminase Sheds Light on the Minimal Requirements for Protein Cross-Linking.

Fernandes CG, Plácido D, Lousa D, Brito JA, Isidro A, Soares CM, Pohl J, Carrondo MA, Archer M, Henriques AO. Fernandes CG, et al. Among authors: lousa d. Biochemistry. 2015 Sep 22;54(37):5723-34. doi: 10.1021/acs.biochem.5b00661. Epub 2015 Sep 8. Biochemistry. 2015. PMID: 26322858

8

Predicting the Thermodynamics and Kinetics of Helix Formation in a Cyclic Peptide Model.

Damas JM, Filipe LC, Campos SR, Lousa D, Victor BL, Baptista AM, Soares CM. Damas JM, et al. Among authors: lousa d. J Chem Theory Comput. 2013 Nov 12;9(11):5148-57. doi: 10.1021/ct400529k. Epub 2013 Oct 11. J Chem Theory Comput. 2013. PMID: 26583424

9

Fusing simulation and experiment: The effect of mutations on the structure and activity of the influenza fusion peptide.

Lousa D, Pinto AR, Victor BL, Laio A, Veiga AS, Castanho MA, Soares CM. Lousa D, et al. Sci Rep. 2016 Jun 15;6:28099. doi: 10.1038/srep28099. Sci Rep. 2016. PMID: 27302370 Free PMC article.

10

Study of the interactions of bovine serum albumin with a molybdenum(II) carbonyl complex by spectroscopic and molecular simulation methods.

Jeremias HF, Lousa D, Hollmann A, Coelho AC, Baltazar CS, Seixas JD, Marques AR, Santos NC, Romão CC, Soares CM. Jeremias HF, et al. Among authors: lousa d. PLoS One. 2018 Sep 27;13(9):e0204624. doi: 10.1371/journal.pone.0204624. eCollection 2018. PLoS One. 2018. PMID: 30261022 Free PMC article.

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