project

Deep Learning-based 3D Virtual Multiplexing to explore microenvironmental drivers of brain tumor progression

tool

BEHAV3D Tumor Profiler

BEHAV3D Tumor Profiler (BEHAV3D-TP) is a cloud-based computational platform designed to comprehensively map and analyze...

tool

MorphoTrack-merger

MorphoTrack-Merger is a Python-based tool designed to extract morphological features from segmented images and merge...

tool

BEHAVIORAL GUIDED TRANSCRIPTOMICS

Behavior-Guided Transcriptomics (BGT) is an extension of the BEHAV3D platform that links T cell live...

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Adult-Onset Hypothyroidism Enhances Fear Memory and Upregulates Mineralocorticoid and Glucocorticoid Receptors in the Amygdala

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Glioblastoma Therapy with Cytotoxic Mesenchymal Stromal Cells Optimized by Bioluminescence Imaging of Tumor and Therapeutic Cell Response

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911 Bioluminescence Imaging of Glioblastoma Therapy with Cytotoxic Human Mesenchymal Stroma Cells that Differentiate to Endothelial Lineage

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In Vivo Bioluminescence Imaging of Cell Differentiation in Biomaterials: A Platform for Scaffold Development

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Calcium phosphate glass improves angiogenesis capacity of poly(lactic acid) scaffolds and stimulates differentiation of adipose tissue-derived mesenchymal stromal cells to the endothelial lineage

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Endothelial Differentiation of Adipose Tissue-Derived Mesenchymal Stromal Cells in Glioma Tumors: Implications for Cell-Based Therapy

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Bioluminescence imaging of cardiomyogenic and vascular differentiation of cardiac and subcutaneous adipose tissue-derived progenitor cells in fibrin patches in a myocardium infarct model

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Imaging windows for long-term intravital imaging

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Fast-Proliferating Adipose Tissue Mesenchymal-Stromal-Like Cells for Therapy

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Abstract A84: Intravital microscopy reveals biopsy induced local wound-healing response

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OS06.3 Characterisation of human brain tumour initiating cells leading invasion

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ANGI-06. CHARACTERISATION OF INVASION OF HUMAN BRAIN TUMOUR INITIATING CELLS IN HUMAN GLIOBLASTOMA

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Preventing inflammation inhibits biopsy-mediated changes in tumor cell behavior

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Potential impact of invasive surgical procedures on primary tumor growth and metastasis

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Longitudinal Intravital Imaging of Brain Tumor Cell Behavior in Response to an Invasive Surgical Biopsy

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High-resolution 3D imaging of fixed and cleared organoids

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Intravital imaging of glioma border morphology reveals distinctive cellular dynamics and contribution to tumor cell invasion

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Invaders Exposed: Understanding and Targeting Tumor Cell Invasion in Diffuse Intrinsic Pontine Glioma

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Behavioral-transcriptomic landscape of engineered T cells targeting human cancer organoids

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Revealing the spatio-phenotypic patterning of cells in healthy and tumor tissues with mLSR-3D and STAPL-3D

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3D imaging for driving cancer discovery

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Uncovering the mode of action of engineered T cells in patient cancer organoids

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Neutrophils Promote Glioblastoma Tumor Cell Migration after Biopsy

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Multispectral confocal 3D imaging of intact healthy and tumor tissue using mLSR-3D

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BEHAV3D: an imaging and transcriptomics platform that unravels T cell antitumor activity

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Bridging live-cell imaging and next-generation cancer treatment

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BEHAV3D: a 3D live imaging platform for comprehensive analysis of engineered T cell behavior and tumor response

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Bhlhe40 Regulates Proliferation and Angiogenesis in Mouse Embryoid Bodies under Hypoxia

researcher

Gabriel Santos-Diaz

researcher

Gabriel Santos-Diaz

research line

Increase the depth of tumor spatial phenotyping with virtual multiplexing

Single-cell resolution volumetric imaging is an uprising technique in the biomedical research as it permits...

research line

Unravelling the role of the tumor microenvironment in tumor invasive behavior and resistance to immunotherapy in Diffuse Midline Glioma.

Modern technologies allow to study the distinct aspects involved in tumor progression from different angles,...

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Understanding the mode-of-action of T cell immunotherapy against solid tumors to overcome resistance.

Despite the revolutionary success of cancer T-Cell Immunotherapies their efficacy in treating solid tumours, is...

tool

BEHAV3D

BEHAV3D is a comprehensive platform combining multi-color live 3D imaging with computational analysis to study...

research line

New methods to elucidate molecular effects of mutations on protein structure and function

This research line is conducted in collaboration with Uppsala University, where I co-supervise a PhD...

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Dynamics and optimal control of biosystems

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Optimality principles in biological systems

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Forward engineering: computer-aided design in synthetic biology

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Reverse engineering: systems identification (dynamic modelling) of biological networks

project

LARGE SCALE GLOBAL OPTIMIZATION IN SYSTEMS BIOLOGY (LarGO)

project

ENHANCING THE COMPUTATIONAL BIOLOGY OF MICROORGANISMS AND PLANTS WITH NEW METHODS OF ARTIFICIAL INTELLIGENCE AND SUPERCOMPUTING (SuperBioComp)

project

DATA-DRIVEN MECHANISTIC MODELLING, UNCERTAINTY QUANTIFICATION AND OPTIMISATION IN SYSTEMS BIOLOGY (DYNAMO-bio)

research line

Predictive models for precision modulation of G protein–coupled receptors (GPCRs): allosteric modulators and biassed agonists

Starting from our deep understanding of the GPCR signaling systems, and our current structure-based computational...

research line

Development of novel polypharmacology-based cancer immunotherapy strategies targeting the purinergic signalling pathway

Blocking the A2B Adenosine Receptor is a selective mechanism of therapeutic intervention, since this receptor...

project

Adenosine Receptors in Immune-Oncology

Current immune-oncology treatments primarily rely on costly monoclonal antibodies and exhibit success rates around 50%....

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Molecular diversity sample generation on the basis of quantum-mechanical computations and principal component analysis

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Comparison of biomolecules on the basis of molecular interaction potentials

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Use of alignment-free molecular descriptors in diversity analysis and optimal sampling of molecular libraries

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On the generation of catalytic antibodies by transition state analogues

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Towards a MIP-based alignment and docking in computer-aided drug design

acf-field

Institution Service Unit

institution_service_unit

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Novel Approaches for Modeling of the A1 Adenosine Receptor and Its Agonist Binding Site

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Comparative analysis of putative agonist-binding modes in the human A 1 adenosine receptor

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Macrocyclic inhibitors of the malarial aspartic proteases plasmepsin I, II, and IV

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Inhibitor binding to the plasmepsin IV aspartic protease from Plasmodium falciparum

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Computational analysis of plasmepsin IV bound to an allophenylnorstatine inhibitor

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Computational inhibitor design against malaria plasmepsins

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Synthesis, adenosine receptor binding and 3D-QSAR of 4-substituted 2-(2′-furyl)-1,2,4-triazolo[1,5-a]quinoxalines

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α-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases

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Recombinant plasmepsin 1 from the human malaria parasite Plasmodium falciparum: Enzymatic characterization, active site inhibitor design, and structural analysis

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Identification of novel scaffolds from an original chemical library as potential antipsychotics

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Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008

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A C-terminal mutation of ATP1A3 underscores the crucial role of sodium affinity in the pathophysiology of rapid-onset dystonia-parkinsonism

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Phe369(7.38) at human 5-HT 7 receptors confers interspecies selectivity to antagonists and partial agonists

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Mutagenesis of human neuropeptide Y/peptide YY receptor Y2 reveals additional differences to Y1 in interactions with highly conserved ligand positions

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In silico directed chemical probing of the adenosine receptor family

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Crystal structure of thioflavin-T and its binding to amyloid fibrils: Insights at the molecular level

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Rational design of a cyclin A fluorescent peptide sensor

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Pyrimidine derivatives as potent and selective A 3 adenosine receptor antagonists

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Molecular dynamics simulations reveal insights into key structural elements of adenosine receptors

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Identification of positions in the human neuropeptide Y/peptide YY receptor Y2 that contribute to pharmacological differences between receptor subtypes

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Computational prediction of structure-Activity Relationships for the Binding of Aminocyclitols to β-Glucocerebrosidase

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Molecular modelling of G protein-coupled receptors through the web

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Linear interaction energy: Method and applications in drug design

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Characterization of the homodimerization interface and functional hotspots of the CXCR4 chemokine receptor

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Selective and potent adenosine A3 receptor antagonists by methoxyaryl substitution on the N-(2,6-diarylpyrimidin-4-yl)acetamide scaffold

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Computational approaches for ligand discovery and design in class-A G protein- coupled receptors

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Characterization of the dynamic events of GPCRs by automated computational simulations

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New selective A<inf>2A</inf> agonists and A<inf>3</inf> antagonists for human adenosine receptors: synthesis, biological activity and molecular docking studies

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Aryl Sulfonamide Inhibitors of Insulin-Regulated Aminopeptidase Enhance Spine Density in Primary Hippocampal Neuron Cultures

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GPCR-ModSim: A comprehensive web based solution for modeling G-protein coupled receptors

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Structural Mapping of Adenosine Receptor Mutations: Ligand Binding and Signaling Mechanisms

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Exploring the influence of the substituent at position 4 in a series of 3,4-dihydropyrimidin-2(1H)-one A2Badenosine receptor antagonists

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The GPR139 reference agonists 1a and 7c, and tryptophan and phenylalanine share a common binding site

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Effect of Nitrogen Atom Substitution in A3 Adenosine Receptor Binding: N-(4,6-Diarylpyridin-2-yl)acetamides as Potent and Selective Antagonists

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Structure-Based Design of Potent and Selective Ligands at the Four Adenosine Receptors

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Characterization of Ligand Binding to GPCRs Through Computational Methods

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Molecular Mechanisms in the Selectivity of Nonsteroidal Anti-Inflammatory Drugs

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Structural Basis of Inhibition of Human Insulin-Regulated Aminopeptidase (IRAP) by Aryl Sulfonamides

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A Series of Analogues to the AT2R Prototype Antagonist C38 Allow Fine Tuning of the Previously Reported Antagonist Binding Mode

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Free energy calculations of RNA interactions

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Free-Energy Calculations for Bioisosteric Modifications of A3 Adenosine Receptor Antagonists

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Functional characterization in vitro of twelve naturally occurring variants of the human pancreatic polypeptide receptor NPY4R

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QresFEP: An Automated Protocol for Free Energy Calculations of Protein Mutations in Q

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Trifluorinated Pyrimidine-Based A2B Antagonists: Optimization and Evidence of Stereospecific Recognition

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Inhibition of translation termination by small molecules targeting ribosomal release factors