Author

G. Malloci

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

Click to filter author papers

Biophysics· 3 Biochemistry· 1 Microbiology· 1

Signature Assays, Organisms & Methods

Click to filter · or open tag

Organism:bacteria (other)· 3 Research Focus:drug response / drug discovery· 2 Approach:experimental assay· 2 Research Focus:protein folding & dynamics· 2 Assay:protein structure· 2 Approach:statistical model· 2 Research Focus:cell signaling & trafficking· 1 Approach:deep learning· 1

Frequent Co-Authors

A. V. Vargiu· 4 shared P. Ruggerone· 4 shared J. Mehla· 2 shared S. Gervasoni· 2 shared V. Rybenkov· 2 shared A. Basciu· 1 shared A. Bosin· 1 shared A. Konijnenberg· 1 shared

Activity by Year

2017-2023 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 23 mutual co-author links

Click any collaborator node to inspect or filter shared papers

Focal author (center)Selected co-authorORCID co-authorUnlinked name

Curved chords = mutual co-authorship

4 shared papersBiophysics

A. V. Vargiu

Mutual co-authors in cluster

Author profile →

5 papers

Recent·Most cited

Predicting Permeation of Compounds across the Outer Membrane of P. aeruginosa Using Molecular Descriptors: Advantages and Limitations

P. D. Manrique, I. Leus, C. A. Lopez, J. Mehla, G. Malloci, S. Gervasoni, A. Vargiu, R. Kinthada, L. Herndon, N. Hengartner, J. K. Walker, V. Rybenkov, P. Ruggerone, H. Zgurskaya, S. Gnanakaran

This study identifies molecular descriptors predictive of compound permeation across P. aeruginosa outer membrane using physicochemical, docking, and MD simulation data.

bioRxiv · Sep 2, 2023 · PreprintBiophysics

Molecular determinants of avoidance and inhibition of Pseudomonas aeruginosa MexB efflux pump

S. Gervasoni, J. Mehla, C. Bergen, I. V. Leus, E. Margiotta, G. Malloci, A. Bosin, A. V. Vargiu, O. Lomovskaya, V. RYBENKOV, P. Ruggerone, H. I. Zgurskaya

This study investigates how different compounds interact with the MexB efflux pump of Pseudomonas aeruginosa, revealing distinct interaction patterns that distinguish inhibitors from substrates.

bioRxiv · Jun 1, 2023 · PreprintMicrobiology

Perturbed structural dynamics underlie inhibition and altered specificity of the multidrug efflux pump AcrB

E. Reading, Z. Ahdash, C. Fais, V. Ricci, X. Wang-Kan, E. Grimsey, J. W. Stone, G. Malloci, A. M. Lau, H. Findlay, A. Konijnenberg, P. J. Booth, P. Ruggerone, A. V. Vargiu, L. J. V. Piddock, A. Politis

The paper investigates the structural dynamics of the AcrB efflux pump, showing how inhibitors and mutations affect its function and substrate specificity.

bioRxiv · Apr 27, 2020Biochemistry

An enhanced-sampling MD-based protocol for molecular docking

A. Basciu, G. Malloci, F. Pietrucci, A. M. J. J. Bonvin, A. V. Vargiu

This paper introduces an enhanced-sampling MD-based protocol to generate druggable protein conformations using metadynamics, improving docking accuracy for drug design.

bioRxiv · Oct 3, 2018Biophysics

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

A. V. Vargiu, V. K. Ramaswamy, I. Malvacio, G. Malloci, U. Kleinekatöfer, P. Ruggerone

The paper investigates the role of water-mediated interactions in the substrate transport mechanism of the bacterial efflux pump AcrB, revealing how structured waters facilitate substrate diffusion.

bioRxiv · Aug 30, 2017Biophysics