Physics / Computational Biology
Computational simulation of molecular motion and protein folding. Research spans force field development, enhanced sampling methods, GPU-accelerated MD, and coarse-grained models.
The rapid advancement of science and technology has enabled changes in many areas, the most exciting of which is the integration of biology and technology. This combination, commonly known as biotechnology, promises to revolutionize healthcare, agriculture, environmental sustainability, and much mor
Nuclear magnetic resonance (NMR) at the single-molecule level with atomic resolution holds transformative potential for structural biology and surface chemistry. Near-surface solid-state spin sensors with optical readout ability offer a promising pathway toward this goal. However, their extreme prox
Memory effects arise in many complex systems, from protein folding, to the spreading of epidemics and financial decisions. While so-called non-Markovian dynamics is common in larger systems with interacting components, observations in fundamental physical systems have been confined to specifically e
Protein folding is one of the age-old biological problems that refers to the mechanism of understanding and predicting how a protein's linear sequence of amino acids folds into its specific three dimensional structure.This structure is critical, as a protein's functionality is inherently linked to i
A light-sensitive protein from extremophile archaea Halobacterium salinarum, bacteriorhodopsin (HsBR), has found numerous applications in pharmacology, biotechnology, bioelectronics and other fields [1, 2] due to its ability to convert light energy into a gradient of hydrogen ions across the cell me
Quantum computing in biology is one of the most rapidly evolving fields of technology. Protein folding is one of the key challenges which requires accurate and efficient algorithms with a quick computational time. Structural conformations of proteins with disordered regions need colossal amount of c
Despite the recent advancements by deep learning methods such as AlphaFold2, in silico protein structure prediction remains a challenging problem in biomedical research. With the rapid evolution of quantum computing, it is natural to ask whether quantum computers can offer some meaningful benefits f
Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a n
The IBS BAG includes teams from IBS (Grenoble) and external groups from CEA-Cadarache (St Paul lez Durance) and IRBA (Brétigny-sur-Orge). We study the structure-function relationships of proteins with a focus on human health, biotechnology and methodology. Most of the projects are a continuation of
The IBS BAG includes teams from IBS (Grenoble) and external groups from CEA-Cadarache (St Paul lez Durance) and IRBA (Brétigny-sur-Orge). We study the structure-function relationships of proteins with a focus on human health, biotechnology and methodology. Most of the projects are a continuation of
The IBS BAG includes teams from IBS (Grenoble) and external groups from CEA-Cadarache (St Paul lez Durance) and IRBA (Brétigny-sur-Orge). We study the structure-function relationships of proteins with a focus on human health, biotechnology and methodology. Most of the projects are a continuation of
The IBS BAG includes teams from IBS (Grenoble) and external groups from CEA-Cadarache (St Paul lez Durance) and IRBA (Brétigny-sur-Orge). We study the structure-function relationships of proteins with a focus on human health, biotechnology and methodology. Most of the projects are a continuation of
This Summary will only portray a very limited scope of the BAG proposal due to its size and more information will be available in the Global Summary. We plan establish a comprehensive structural narrative for the assembly and entry of viruses from the Bunyavirales family using X-ray crystallography,
This Summary will only portray a very limited scope of the BAG proposal due to its size and more information will be available in the Global Summary. We plan establish a comprehensive structural narrative for the assembly and entry of viruses from the Bunyavirales family using X-ray crystallography,
The IBS BAG includes teams from IBS (Grenoble) and external groups from CEA-Cadarache (St Paul lez Durance) and IRBA (Brétigny-sur-Orge). We study the structure-function relationships of proteins with a focus on human health, biotechnology and methodology. Most of the projects are a continuation of
This Summary will only portray a very limited scope of the BAG proposal due to its size and more information will be available in the Global Summary. We plan establish a comprehensive structural narrative for the assembly and entry of viruses from the Bunyavirales family using X-ray crystallography,