Our publications

Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: the myoglobin case - Jun 27, 2015 4:48:6 PM

Compaction properties of an intrinsically disordered protein: Sic1 and its kinase-inhibitor domain - Jun 27, 2015 4:50:56 PM

An acidic loop and cognate phosphorylation sites define a molecular switch that modulates ubiquitin charging activity in Cdc34-like enzymes - Jun 27, 2015 4:53:5 PM

The role of the central flexible region on the aggregation and conformational properties of human ataxin-3 - Jun 27, 2015 5:6:32 PM

C-Terminal acidic domain of ubiquitin-conjugating enzymes: a multi-functional conserved intrinsically disordered domain in family 3 of E2 enzymes - Jun 27, 2015 5:8:10 PM

Paths of long-range communication in the E2 enzymes of family 3: a molecular dynamics investigation - Jun 27, 2015 5:10:22 PM

xPyder: a PyMOL plugin to analyze coupled residues and their networks in protein structures - Jun 27, 2015 5:16:36 PM

Loop 7 of E2 enzymes: an ancestral conserved functional motif involved in the E2-mediated steps of the ubiquitination cascade - Jun 27, 2015 5:19:9 PM

Zinc induced folding is essential for TIM15 activity as an mtHsp70 chaperone - Jun 27, 2015 5:21:21 PM

Intramolecular interactions stabilizing compact conformations of the intrinsically disordered kinase-inhibitor domain of Sic1: a molecular dynamics investigation - Jun 27, 2015 5:23:14 PM

Molecular and structural insight into lysine selection on substrate and ubiquitin lysine 48 by the ubiquitin-conjugating enzyme Cdc34 - Jun 27, 2015 5:24:46 PM

The conformational ensemble of the disordered and aggregation-protective 182-291 region of ataxin-3 - Jun 27, 2015 5:26:16 PM

Molecular dynamics simulation of chemokine receptors in lipid bilayer: a case study on C-C chemokine receptor type 2 - Jun 27, 2015 5:27:46 PM

A comparative study of Whi5 and retinoblastoma proteins: from sequence and structure analysis to intracellular networks - Jun 27, 2015 5:29:34 PM

PyInteraph: a framework for the analysis of interaction networks in structural ensembles of proteins - Jun 27, 2015 5:31:9 PM

Inhibitors of the Cdc34 acidic loop: A computational investigation integrating molecular dynamics, virtual screening and docking approaches - Jun 27, 2015 5:32:50 PM

Communication routes in ARID domains between distal residues in helix 5 and the DNA-binding loops - Jun 27, 2015 5:34:30 PM

Comparing molecular dynamics force fields in the essential subspace. - Jun 27, 2015 5:35:55 PM

Integrating atomistic molecular dynamics simulations, experiments, and network analysis to study protein dynamics: strength in unity - Jun 27, 2015 5:37:20 PM

A two-step protein quality control pathway for a misfolded DJ-1 variant in fission yeast. - Jul 13, 2015 4:27:49 PM

E2 superfamily of ubiquitin-conjugating enzymes: constitutively active or activated through phosphorylation in the catalytic cleft - Aug 21, 2015 5:45:26 PM

A (dis)similarity index to compare correlated motions in molecular simulations - Aug 21, 2015 5:48:27 PM

ENCORE: Software for Quantitative Ensemble Comparison - Nov 06, 2015 10:40:5 PM

The Role of Protein Loops and Linkers in Conformational Dynamics and Allostery - Feb 23, 2016 5:53:32 PM

The human Na(+)/H(+) exchanger 1 is a membrane scaffold protein for extracellular signal-regulated kinase 2. - May 03, 2016 8:58:13 PM

Cytokine profiling of tumour interstitial fluid of the breast and its relationship with lymphocyte infiltration and clinicopathological characteristics - Oct 29, 2016 3:11:51 PM

DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions. - Oct 29, 2016 3:16:19 PM

Mapping transiently formed and sparsely populated conformations on a complex energy landscape. - Oct 29, 2016 3:18:53 PM

A combined computational and structural model of the full-length human prolactin receptor - Oct 29, 2016 3:22:10 PM

Cytokine profiling of tumour interstitial fluid of the breast and its relationship with lymphocyte infiltration and clinicopathological characteristics - Nov 18, 2016 2:12:12 PM

The mutational landscape of the oncogenic MZF1 SCAN domain in cancer - Nov 18, 2016 2:16:55 PM

MIR7-3HG, a MYC-dependent modulator of cell proliferation, inhibits autophagy by a regulatory loop involving AMBRA1. - Jan 23, 2017 6:2:52 PM