Nucleic acids
From structure and dynamics to oligo-based therapeutics
Molecular Modeling · Bioinformatics · AI
Decoding the dynamic life of macromolecules.
At DansLab we use molecular modeling, in silico simulations, structural bioinformatics, and AI to understand the complex, dynamic roles of nucleic acids and proteins inside the cell — from atoms to systems.
About us
A multiscale view of macromolecules in their biological context.
The Dans Lab, also known as the Molecular Modeling, Bioinformatics and AI (MMBAI) group, is part of the Department of Biological Sciences (DCB) at the Regional University Center (CENUR) in Salto, University of the Republic (UdelaR), located in the northern riverside region of Uruguay (Litoral Norte).
At the Dans Lab we are driven by a deep fascination with macromolecules' complex and dynamic roles within their biological contexts. We employ molecular modeling, in silico simulations, structural bioinformatics, and genome-wide data mining to explore these intricate processes, adopting a multiscale perspective to uncover new insights. Our lab is centered on Nucleic Acids (structure, dynamics and oligo-based therapies) and Bacterial Resistance (basic mechanisms and applied treatments). 90% of the work at DansLab is theoretical (in silico), but we also run a wet-lab facility where some experiments are carried out.
Bacterial resistance
From basic discovery to treatments
What we do
From electrons, through chromosomes, to whole cells and bacteria.
Molecular dynamics
Multiscale simulations — from all-atom MD to coarse-grained models — to probe conformational landscapes and macromolecular flexibility.
Structural bioinformatics
Sequence-to-structure-to-function pipelines, with a focus on DNA, RNA, and protein complexes in their cellular context.
AI for biomolecules
Geometric deep learning and generative models to predict structure, dynamics, and interactions of nucleic acids and proteins.
Genome-wide data mining
Mining of bacterial genomes to identify resistance determinants, virulence factors, and signatures of horizontal gene transfer across pathogens.
QM calculations
Quantum mechanics and DFT calculations to derive atomic charges and parameters that feed all-atom force-field development for nucleic acids and modified bases.
Molecular modeling
Docking, interaction potentials, homology modeling, and 2D/3D structure prediction and visualization of macromolecular complexes.
Open code, datasets and tools we share with the communitygithub.com/MMBAI-Lab
Current staff
The team behind the science.
All members →
Prof. Dr.
Pablo D. Dans
Professor and head of Molecular Modeling, Bioinformatics & AI (MMBAI) · University of the Republic
Associate researcher · Institut Pasteur of Montevideo
Dr.
Germán Traglia
Assistant researcher (tenure track) · MMBAI (since 2026) - University of the Republic
Supervised by Pablo Dans.
Dr.
Leandro Grille
Postdoctoral fellow · MMBAI (since 2020) - University of the Republic
Directed by Pablo Dans.
Dr.
Victor Miguel Garcia Velasquez
Researcher at MMBAI · MMBAI (since 2024) - University of the Republic
Research Assistant · Facultad de Medicina y Nutrición - UABC Mexicali
Directed by Pablo Dans.