Benoit Guillot
Université de Lorraine, CNRS, CRM2, F-54000 Nancy, France
benoit.guillot@univ-lorraine.fr
Short CV
Benoît Guillot is a professor at the CRM2 laboratory of Lorraine University (Nancy). He holds a master’s degree in physics and bio-crystallography and earned his PhD under the supervision of Prof. Claude Lecomte. His doctoral research focused on the first experimental electron density analysis of a large protein of pharmaceutical interest (human aldose reductase). Following a postdoctoral fellowship at the Hauptman-Woodward Institute (Buffalo), he continued his academic career in Nancy, specializing in the development of methods for charge density studies of biological macromolecules, particularly those based on the transferability of multipolar density parameters. He is a co-author of the MoProSuite program package and the author of MoProViewer, a software dedicated to computing and visualizing electron density-derived properties.
Lecture 47: Benoit Guillot
Quantum Crystallography for Macromolecular Systems: applications and recent developments.
Benoit Guillot
Université de Lorraine, CNRS, CRM2, F-54000 Nancy, France
benoit.guillot@univ-lorraine.fr
We review key applications of charge density science, now commonly referred to as Quantum Crystallography, in macromolecular biological systems. Our focus is on studies that either directly utilize subatomic X-ray diffraction data and refine electron density parameters to some extent or leverage their transferability, particularly for interpreting properties relevant to protein-ligand binding and interactions. Additionally, we present recent developments from our group that exploit the topology of the electrostatic potential scalar field to analyze electrostatic properties in protein structures and protein-ligand complexes. We highlight a proof-of-concept example and describe the software implementation of this novel approach.