acf-field

Principal association area

principal_association_area

acf-field

Mix Center

mix_center

acf-field

Mix Center

mix_center

acf-field

Mix Center

mix_center

acf-field

Tes

tes

researcher

Marina García Alfonso

researcher

Miguel Sánchez Rodríguez

researcher

rsancho

tool

MateR

orcid publication

The Web of Life

orcid publication

Mutualistic interactions reshuffle the effects of climate change on plants across the tree of life

researcher

Raúl Ortega

researcher

Roberto Sevilla

researcher

Mar Villar

orcid publication

Robust membrane detection based on tensor voting for electron tomography

orcid publication

Fast tomographic reconstruction on multicore computers

orcid publication

The structure of basal body inner junctions from Tetrahymena revealed by electron cryo-tomography

orcid publication

Disruption of the mitochondrial network in a mouse model of Huntington's disease visualized by in-tissue multiscale 3D electron microscopy

project

Towards computer-aided analysis of subcellular architecture as a tool for disease diagnosis (ComArc)

project

Synthetic biology-based tools for Correlative Light-Electron Microscopy (SynCLEM)

research line

High performance computing

research line

Advanced 2D/3D image processing and analysis

research line

Analysis of microtubule-organizing centers with cryo-ET

research line

Analysis of subcellular architecture with nanotomography and image processing

service unit

Electron Microscopy Facility at CINN

Sample preparation and EM imaging. Advice on image processing. The facility is specialized in the...

service unit

Bioinformatics and Computational Biology (BCB) at EBD

The BCB lab was established at the Estación Biológica de Doñana (EBD) to meet the...

tool

Tomo3DEM

Tomo3DEM is a software suite for in situ structural analysis of the subcellular architecture and...

research group

Subcellular architecture

Our research interest is mainly focused on the study of the subcellular architecture and exploration...

project

GRUPO DE INVESTIGACIÓN RECONOCIDO BIOINFORMATICA ESTRUCTURAL, MODELADO Y MECANISMOS BIOLOGICOS

project

ONETICK: AN INTEGRATED ONE HEALTH APPROACH FOR PREVENTION, DETECTION AND TREATMENT OF TICK-BORNE DISEASES IN URBAN AND PERI-URBAN ENVIRONMENTS

project

BIOINFORMÁTICA, ANÁLISIS DE DATOS Y MODELIZACIÓN PARA EL AVANCE DE LA VITIVINICULTURA

project

NUEVAS TECNOLOGÍAS DIGITALES Y DE PROTEÍNAS EN PROCESOS DE VINIFICACIÓN PARA ABORDAR LOS RETOS DEL SECTOR ENOLÓGICO EN EL TERRITORIO POCTEFA (OENOPROT)

project

NEW METHODS FOR BIOLOGICAL MODELING: PROTEIN INTERACTIONS, MUTATIONS, POLYPHENOLS AND HEALTH (BIOMODELPROT)

research line

Multi-scale of complex biological data in One Health

Development of probabilistic models for the description of population dynamics, like COVID-19 transmision. We are...

research line

Molecular modeling of biological processes and mechanisms

We are modeling the interaction of polyphenols with relevant targets in human health, like the...

research line

Development of new methodology for the energetic description of protein interactions

We are exploring the use of pyDock energy-based function to describe the energetics of protein-protein...

research line

New AI-based methods for the structural modeling of protein assemblies: integration of pyDock and AlphaFold

We are using AI-based methods like AlphaFold to improve structural modeling of protein-protein complexes. Our...

tool

pyDock

Protein-protein docking pipeline using FFT-based sampling and energy-based scoring.

orcid publication

The Tryptophan/Histidine interaction in α-helices

orcid publication

Corrigendum: The tryptophan/histidine interaction in α-helices (J. Mol. Biol. (1997) 267 (184-197))

orcid publication

Investigation of the diaphorase reaction of ferredoxin-NADP⁺ reductase by electrochemical methods

orcid publication

Intrahelical side chain interactions in α-helices: Poor correlation between energetics and frequency

orcid publication

Apoflavodoxin: Structure, stability, and FMN binding

orcid publication

Energetics of a hydrogen bond (charged and neutral) and of a cation-π interaction in apoflavodoxin

orcid publication

Modulation of electroenzymatic NADPH oxidation through oriented immobilization of ferredoxin:NADP⁺ reductase onto modified gold electrodes

orcid publication

Apoflavodoxin folding mechanism: An α/β protein with an essentially off-pathway intermediate

orcid publication

Soft protein-protein docking in internal coordinates

orcid publication

ICM-DISCO docking by global energy optimization with fully flexible side-chains

orcid publication

The long and short flavodoxins: II. The role of the differentiating loop in apoflavodoxin stability and folding mechanism

orcid publication

The Crystal Structure of Fibroblast Growth Factor (FGF) 19 Reveals Novel Features of the FGF Family and Offers a Structural Basis for Its Unusual Receptor Affinity

orcid publication

A model of a transmembrane drug-efflux pump from Gram-negative bacteria

orcid publication

The polygalacturonase-inhibiting protein PGIP2 of Phaseolus vulgaris has evolved a mixed mode of inhibition of endopolygalacturonase PG1 of Botrytis cinerea

orcid publication

The crystal structure of the outer membrane protein VceC from the bacterial pathogen Vibrio cholerae at 1.8 Å resolution

orcid publication

Optimal docking area: A new method for predicting protein-protein interaction sites

orcid publication

Improving CAPRI predictions: Optimized desolvation for rigid-body docking

orcid publication

Predicting protein-protein interface using desolvation energy similarity matching

orcid publication

Polygalacturonase inhibiting proteins: Players in plant innate immunity?

orcid publication

New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: Analysis by SARs and computational docking

orcid publication

Identifying interaction motifs in CK2β - a ubiquitous kinase regulatory subunit

orcid publication

Efficient restraints for protein-protein docking by comparison of observed amino acid substitution patterns with those predicted from local environment

orcid publication

Data mining of molecular dynamic trajectories of nucleic acids

orcid publication

Cell biology: Brief encounters bolster contacts

orcid publication

The structure of human 4F2hc ectodomain provides a model for homodimerization and electrostatic interaction with plasma membrane

orcid publication

Structural and functional characterization of binding sites in metallocarboxypeptidases based on optimal docking area analysis

orcid publication

Recognition and Cooperation Between the ATP-dependent RNA Helicase RhlB and Ribonuclease RNase E

orcid publication

PyDock: Electrostatics and desolvation for effective scoring of rigid-body protein-protein docking

orcid publication

Prediction and scoring of docking poses with pyDock

orcid publication

Structural assembly of two-domain proteins by rigid-body docking

orcid publication

In silico docking of urokinase plasminogen activator and integrins

orcid publication

Identification of hot-spot residues in protein-protein interactions by computational docking

orcid publication

Editorial

orcid publication

Docking of cytochrome c₆ and plastocyanin to the aa ₃-type cytochrome c oxidase in the cyanobacterium Phormidium laminosum

orcid publication

Docking analysis of transient complexes: Interaction of ferredoxin-NADP⁺ reductase with ferredoxin and flavodoxin

orcid publication

Direct interaction between a human digestive protease and the mucoadhesive poly(acrylic acid)

orcid publication

Crystal structure of the endopolygalacturonase from the phytopathogenic fungus Colletotrichum lupini and its interaction with polygalacturonase- inhibiting proteins

orcid publication

Assembly and Channel Opening in a Bacterial Drug Efflux Machine

orcid publication

Structural characterization of unphosphorylated STAT5a oligomerization equilibrium in solution by small-angle X-ray scattering

orcid publication

Pushing structural information into the yeast interactome by high-throughput protein docking experiments

orcid publication

Predicting protein protein interfaces as clusters of Optimal Docking Area points

orcid publication

Integration of evolutionary and desolvation energy analysis identifies functional sites in a plant immunity protein

orcid publication

Docking and scoring: Applications to drug discovery in the interactomics era

orcid publication

Theory and simulation: integrating models into experimental scenarios

orcid publication

The 4th meeting on the Critical Assessment of PRedicted Interaction (CAPRI) held at the Mare Nostrum, Barcelona

orcid publication

Structural characterization of protein-protein complexes by integrating computational docking with small-angle scattering data

orcid publication

Protein docking by Rotation-Based Uniform Sampling (RotBUS) with fast computing of intermolecular contact distance and residue desolvation

orcid publication

Present and future chanllenges and limitations in protein-Protein clocking

orcid publication

Optimization of pyDock for the new CAPRI challenges: Docking of homology-based models, domain-domain assembly and protein-RNA binding

orcid publication

Optimal protein-RNA area, OPRA: A propensity-based method to identify RNA-binding sites on proteins

orcid publication

Mapping of interaction sites of the Schizosaccharomyces pombe protein translin with nucleic acids and proteins: A combined molecular genetics and bioinformatics study

orcid publication

Interdomain conformations in the full-length MMP-2 enzyme explored by protein-protein docking calculations using pyDock

orcid publication

Helix propensities of conformationally restricted amino acids. Non-natural substitutes for helix breaking proline and helix forming alanine

orcid publication

Drug design on the cell BE

orcid publication

Dissection and prediction of RNA-binding sites on proteins

orcid publication

Scoring by intermolecular pairwise propensities of exposed residues (SIPPER): A new efficient potential for protein-protein docking

orcid publication

PyDockCG: New coarse-grained potential for protein-protein docking

orcid publication

Prediction of protein-binding areas by small-world residue networks and application to docking

orcid publication

Prediction of protein binding sites and hot spots

orcid publication

LRR conservation mapping to predict functional sites within protein leucine-rich repeat domains

orcid publication

Community-wide assessment of protein-interface modeling suggests improvements to design methodology

orcid publication

Theory and simulation: Complexity and emergence