Peer-reviewed scientific articles:
36- Supramolecular organization and dynamics of mannosylated phosphatidylinositol lipids in the mycobacterial plasma membrane
PNAS, 2023, 120, e2212755120 BioRxiv version
35- GPC3-Unc5 receptor complex structure and role in cell migration
Cell, 2022, 185, 21, 3931-3949 BioRxiv version
34- The guidance and adhesion protein FLRT2 dimerizes in cis via dual small-X3-small transmembrane motifs
Structure, 2022, 30, 9, 1354-1365 BioRxiv version
33- Proteasome complexes experience profound structural and functional rearrangements throughout mammalian spermatogenesis
PNAS, 2022, 119 (15) e2116826119
32- Visualizing protein structures — tools and trends
Biochem Soc Trans (2020) 48 (2): 499–506
31- Structural Basis of Teneurin-Latrophilin Interaction in Repulsive Guidance of Migrating Neurons
Cell, 2020, 180 (2), 323–339 Open Access
30- The conical shape of DIM lipids promotes Mycobacterium tuberculosis infection of macrophages
PNAS, 2019, 116 (51), 25649-25658 BioRxiv version pdf
29- Sharing Data from Molecular Simulations
JCIM, 2019, 59 (10), 4093-4099 ChemRxiv version
28- Molecular Graphics: Bridging Structural Biologists and Computer Scientists
Structure, 2019, 27 (11), 1617-1623
27- Cholesterol Interaction Sites on the Transmembrane Domain of the Hedgehog Signal Transducer and Class F G Protein-Coupled Receptor Smoothened
Structure, 2018, 27 (3), 549-559
26- Nanoscale protein interactions determine the mesoscale dynamic organization of bacterial outer membranes
Nature Communications, 2018, 9, Article number: 2846
25- Interactions of the EphA2 kinase domain with PIPs in membranes: Implications for receptor function
Structure, 2018, 26 (7), 1025-1034
24- Protein crowding and lipid complexity influence the nanoscale dynamic organization of ion channels in cell membranes
Scientific Reports, 2017, 7, Article number: 16647
23- Molecular visualization of computational biology data: A survey of surveys
Eurovis conference, 2017, conference paper
22- Lipid-Loving ANTs: Molecular Simulations of Cardiolipin Interactions and the Organization of the Adenine Nucleotide Translocase in Model Mitochondrial Membranes
Biochemistry, 2016, 55 (45), 6238-6249
21- MolPathFinder: interactive multi-dimensional path filtering of molecular dynamics simulation data
Proceedings of the conference on Computer Graphics & Visual Computing, 2016, 9-16
20- Molecular dynamics simulations of membrane proteins and their interactions: from nanoscale to mesoscale
Current opinion in structural biology, 2016, 40, 8-16.
19- Membrane stiffness is modified by integral membrane proteins
Soft matter, 2016, 12 (37), 7792-7803.
18- Super-complexes of adhesion GPCRs and neural guidance receptors
Nature Communications, 2016, 7, 11184.
17- Structures of the EphA2 receptor at the membrane: role of lipid interactions
Structure, 2016, 24(2), 337-347
16- Molecular dynamics simulations of Gram-negative membranes: a vignette of some recent successes
Biophysical Journal, 2015, 109(3), 461-468
15- Supramolecular assemblies underpin turnover of outer membrane proteins in bacteria
Nature, 2015, 523(7560), 333-336
14- Nothing to sneeze at: a dynamic and integrative computational model of an influenza A virion
Structure, 2015, 23, 1-14
13- Epock: Speedy analysis of protein pocket dynamics
Bioinformatics, 2015, 31(9), 1478-1480.
12- Dimerization of the EphA1 receptor tyrosine kinase transmembrane domain: Insights into the Mechanism of Receptor Activation
Biochemistry, 2014, 53(42), 6641-6652.
11- Methodologies for the analysis of instantaneous lipid diffusion in MD simulations of large membrane systems
Faraday Discussion, 2014, 169, 455-475.
10- Blind prediction of Interfacial water positions in CAPRI
Proteins: Structure, Function and Bioinformatics, 2014, 82(4), 620-632.
9- Interactive Molecular Dynamics: Scaling up to Large Systems
Procedia Computer Science, 2013, 18, 20-29.
8- Game on, Science - how video game technology may help biologists tackle visualization challenges
PLoS ONE, 2013, 8 (3), e57990.
7- Bendix: Intuitive helix geometry analysis and abstraction
Bioinformatics, 2012, 28 (16): 2193-2194.
6- Soon in your lecture halls, chemistry will go to Hollywood
L’actualité Chimique 2012, 363, 42-46
5- Unified molecular representations accelerated by graphics processors : balls, sticks and hyperboloids from macro- to meso-scale dynamics
Journal of Computational Chemistry 2011, 32 (13), 2924-2935.
4- GPU-powered tools boost molecular visualization
Briefings in Bioinformatics, 2011, 12 (6), 689-701.
3- Biochemical studies and Molecular Dynamics Simulations of Smad3-Erbin interaction identify a non-classical erbin PDZ binding
Biochemical and Biophysical Research Communications 2009, 378 (3), 360-365.
2- MetaMol: high quality visualization of molecular skin surface.
Journal of Molecular Graphics and Modelling, 2008, 27 (2), 209-216.
1- Multiple-step virtual screening using VSM-G: overview and validation of fast geometrical matching enrichment
Journal of Molecular Modeling, 2008, 14 (5), pp. 393-401.