Malloci G - Search Results

1

Molecular simulations of SSTR2 dynamics and interaction with ligands.

Gervasoni S, Guccione C, Fanti V, Bosin A, Cappellini G, Golosio B, Ruggerone P, Malloci G. Gervasoni S, et al. Among authors: malloci g. Sci Rep. 2023 Mar 23;13(1):4768. doi: 10.1038/s41598-023-31823-1. Sci Rep. 2023. PMID: 36959237 Free PMC article.

2

High-resolution infrared absorption spectroscopy of thermally excited naphthalene. Measurements and calculations of anharmonic parameters and vibrational interactions.

Pirali O, Vervloet M, Mulas G, Malloci G, Joblin C. Pirali O, et al. Among authors: malloci g. Phys Chem Chem Phys. 2009 May 14;11(18):3443-54. doi: 10.1039/b814037e. Epub 2009 Feb 26. Phys Chem Chem Phys. 2009. PMID: 19421547

3

Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons.

Marques MA, Castro A, Malloci G, Mulas G, Botti S. Marques MA, et al. Among authors: malloci g. J Chem Phys. 2007 Jul 7;127(1):014107. doi: 10.1063/1.2746031. J Chem Phys. 2007. PMID: 17627337

4

Effects of TIPS-functionalization and perhalogenation on the electronic, optical, and transport properties of angular and compact dibenzochrysene.

Cardia R, Malloci G, Mattoni A, Cappellini G. Cardia R, et al. Among authors: malloci g. J Phys Chem A. 2014 Jul 17;118(28):5170-7. doi: 10.1021/jp502022t. Epub 2014 Jul 2. J Phys Chem A. 2014. PMID: 24946056

5

A Database of Force-Field Parameters, Dynamics, and Properties of Antimicrobial Compounds.

Malloci G, Vargiu AV, Serra G, Bosin A, Ruggerone P, Ceccarelli M. Malloci G, et al. Molecules. 2015 Aug 3;20(8):13997-4021. doi: 10.3390/molecules200813997. Molecules. 2015. PMID: 26247924 Free PMC article.

6

Computational modelling of efflux pumps and their inhibitors.

Ramaswamy VK, Cacciotto P, Malloci G, Vargiu AV, Ruggerone P. Ramaswamy VK, et al. Among authors: malloci g. Essays Biochem. 2017 Mar 3;61(1):141-156. doi: 10.1042/EBC20160065. Print 2017 Feb 28. Essays Biochem. 2017. PMID: 28258237 Review.

7

Molecular Rationale behind the Differential Substrate Specificity of Bacterial RND Multi-Drug Transporters.

Ramaswamy VK, Vargiu AV, Malloci G, Dreier J, Ruggerone P. Ramaswamy VK, et al. Among authors: malloci g. Sci Rep. 2017 Aug 14;7(1):8075. doi: 10.1038/s41598-017-08747-8. Sci Rep. 2017. PMID: 28808284 Free PMC article.

8

Molecular Modeling of Multidrug Properties of Resistance Nodulation Division (RND) Transporters.

Cacciotto P, Ramaswamy VK, Malloci G, Ruggerone P, Vargiu AV. Cacciotto P, et al. Among authors: malloci g. Methods Mol Biol. 2018;1700:179-219. doi: 10.1007/978-1-4939-7454-2_11. Methods Mol Biol. 2018. PMID: 29177832

9

Water-mediated interactions enable smooth substrate transport in a bacterial efflux pump.

Vargiu AV, Ramaswamy VK, Malvacio I, Malloci G, Kleinekathöfer U, Ruggerone P. Vargiu AV, et al. Among authors: malloci g. Biochim Biophys Acta Gen Subj. 2018 Apr;1862(4):836-845. doi: 10.1016/j.bbagen.2018.01.010. Epub 2018 Jan 13. Biochim Biophys Acta Gen Subj. 2018. PMID: 29339082 Free article.

10

Computer simulations of the activity of RND efflux pumps.

Vargiu AV, Ramaswamy VK, Malloci G, Malvacio I, Atzori A, Ruggerone P. Vargiu AV, et al. Among authors: malloci g. Res Microbiol. 2018 Sep-Oct;169(7-8):384-392. doi: 10.1016/j.resmic.2017.12.001. Epub 2018 Jan 31. Res Microbiol. 2018. PMID: 29407044 Free article. Review.

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