Search filters

List of works by Sergio Pantano

A fully atomistic model of the Cx32 connexon

scientific article

A hybrid all-atom/coarse grain model for multiscale simulations of DNA

scientific article published on 19 September 2011

A molecular model of the Vibrio cholerae cytolysin transmembrane pore

scientific article

Advanced computational methods in molecular medicine

scientific article published on 20 May 2012

Amino acid modification in the HIV-1 Tat basic domain: insights from molecular dynamics and in vivo functional studies.

scientific article published in May 2002

Arg206 of SNAP-25 is essential for neuroexocytosis at the Drosophila melanogaster neuromuscular junction

scientific article published on 7 September 2010

Assessing SIRAH's Capability to Simulate Intrinsically Disordered Proteins and Peptides

scientific article published on 07 January 2021

Breathing, bubbling, and bending: DNA flexibility from multimicrosecond simulations

scientific article published on 03 August 2012

Catabolite activator protein in aqueous solution: a molecular simulation study

scientific article published on 23 January 2007

Cloning, characterization and subcellular localization of a Trypanosoma cruzi argonaute protein defining a new subfamily distinctive of trypanosomatids

scientific article published on 16 July 2010

Comparative analysis of HIV-1 Tat variants

scientific article published on 01 February 2005

Crystal structure of peach Pru p 3, the prototypic member of the family of plant non-specific lipid transfer protein pan-allergens

scientific article published on 07 December 2005

Envisioning data sharing for the biocomputing community

scientific article published on 19 April 2019

Evidence for a radial SNARE super-complex mediating neurotransmitter release at the Drosophila neuromuscular junction.

scientific article published on 17 May 2013

Exploring LacI-DNA dynamics by multiscale simulations using the SIRAH force field.

scientific article published on 2 September 2015

Fat SIRAH: Coarse-Grained Phospholipids To Explore Membrane-Protein Dynamics

scientific article published on 05 September 2019

From quantum to subcellular scales: multi-scale simulation approaches and the SIRAH force field

scientific article published on 19 April 2019

Genetic bypass of Aspergillus nidulans crzA function in calcium homeostasis

scientific article published on 8 July 2013

HIV-1 Tat Binding to PCAF Bromodomain: Structural Determinants from Computational Methods

scientific article

Human, Drosophila, and C.elegans TDP43: nucleic acid binding properties and splicing regulatory function

scientific article published in May 2005

Identification of novel cyclic nucleotide binding proteins in Trypanosoma cruzi.

scientific article published in December 2014

Improvement of a FRET-based indicator for cAMP by linker design and stabilization of donor-acceptor interaction

scientific article published on 21 October 2005

In silico description of fluorescent probes in vivo.

scientific article

Insights on HIV-1 Tat:P/CAF bromodomain molecular recognition from in vivo experiments and molecular dynamics simulations.

scientific article

Isoform-specific determinants in the HP1 binding to histone 3: insights from molecular simulations.

scientific article published on 4 November 2009

MD Simulations of Virus-Like Particles with Supra CG solvation affordable to desktop computers

scientific article published on 6 September 2017

Mechanistic and biological characterisation of novel N5-substituted paullones targeting the biosynthesis of trypanothione in Leishmania

scientific article published on 01 December 2020

Mixing Atomistic and Coarse Grain Solvation Models for MD Simulations: Let WT4 Handle the Bulk

scientific article published on 15 June 2012

Modelling and mutational analysis of Aspergillus nidulans UreA, a member of the subfamily of urea/H⁺ transporters in fungi and plants

scientific article

Molecular basis of the allosteric mechanism of cAMP in the regulatory PKA subunit

scientific article published on 14 April 2005

Molecular dynamics study of the interaction of arginine with phosphatidylcholine and phosphatidylethanolamine bilayers

scientific article published on 06 April 2012

Mutations in the basic loop of the Zn binuclear cluster of the UaY transcriptional activator suppress mutations in the dimerisation domain.

scientific article published in July 2012

NADH interactions with WT- and S94A-acyl carrier protein reductase from Mycobacterium tuberculosis: an ab initio study

scientific article published in April 2002

Pathogenetic role of the deafness-related M34T mutation of Cx26.

scientific article

Post-Translational Modifications at the Coarse-Grained Level with the SIRAH Force Field

scientific article published on 07 January 2020

Reversible acetylation regulates vascular endothelial growth factor receptor-2 activity

scientific article

SIRAH: a structurally unbiased coarse-grained force field for proteins with aqueous solvation and long-range electrostatics.

scientific article published in February 2015

SNARE complexes and neuroexocytosis: how many, how close?

scientific article

Salt induced asymmetry in membrane simulations by partial restriction of ionic motion

scientific article published on 01 May 2009

Split the Charge Difference in Two! A Rule of Thumb for Adding Proper Amounts of Ions in MD Simulations

scientific article published on 05 February 2020

Structure and dynamics of nano-sized raft-like domains on the plasma membrane

scientific article published on 01 January 2012

Structure-based, in silico approaches for the development of novel cAMP FRET reporters

scientific article published on 01 January 2015

Subcellular localization of the interaction between the human immunodeficiency virus transactivator Tat and the nucleosome assembly protein 1

Surface localization of high-mobility group nucleosome-binding protein 2 on leukemic B cells from patients with chronic lymphocytic leukemia is related to secondary autoimmune hemolytic anemia.

scientific article published on 21 January 2015

The SIRAH 2.0 Force Field: Altius, Fortius, Citius

scientific article published on 13 March 2019

The blockade of the neurotransmitter release apparatus by botulinum neurotoxins

scientific article published on 11 June 2013

The role of phosphorylation on the structure and dynamics of phospholamban: a model from molecular simulations

scientific article

Thermodynamics of the conformational transition of biopolyelectrolytes: the case of specific affinity of counterions

scientific article published in December 1999

Transferable mixing of atomistic and coarse-grained water models

scientific article published on 12 November 2013

Unitary permeability of gap junction channels to second messengers measured by FRET microscopy

scientific article published on 11 March 2007

Wrapping Up Viruses at Multiscale Resolution: Optimizing PACKMOL and SIRAH Execution for Simulating the Zika Virus

scientific article published on 08 January 2021

cAMP Modulation of the cytoplasmic domain in the HCN2 channel investigated by molecular simulations

scientific article

Paulina is supported by:

About Paulina

Help