List of works - Lorenzo Casalino

A Dehydrogenase Dual Hydrogen Abstraction Mechanism Promotes Estrogen Biosynthesis: Can We Expand the Functional Annotation of the Aromatase Enzyme?

scientific article published on 25 June 2018

A Multiscale Coarse-grained Model of the SARS-CoV-2 Virion

scientific article published on 02 October 2020

AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics

scientific article published on 20 November 2020

All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome

scientific article published on 11 June 2018

Atomic-Level Mechanism of Pre-mRNA Splicing in Health and Disease

scientific article published on 14 December 2020

Can multiscale simulations unravel the function of metallo-enzymes to improve knowledge-based drug discovery?

scientific article published on 2 April 2019

Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Molecular Dynamics

scientific article

Decrypting the Information Exchange Pathways across the Spliceosome Machinery

scientific article published on 10 April 2020

Development of Site-Specific Mg(2+)-RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations.

scientific article

Human Influenza A Virus Hemagglutinin Glycan Evolution Follows a Temporal Pattern to a Glycan Limit

scientific article published on 02 April 2019

Mesoscale All-Atom Influenza Virus Simulations Suggest New Substrate Binding Mechanism

scientific article published on 19 February 2020

SARS-CoV-2 escape in vitro from a highly neutralizing COVID-19 convalescent plasma

scientific article published on 28 December 2020

The flexibility of ACE2 in the context of SARS-CoV-2 infection

scientific article published on 16 September 2020

Understanding the mechanistic basis of non-coding RNA through molecular dynamics simulations

scientific article published in June 2019

Unraveling the Molecular Mechanism of Pre-mRNA Splicing From Multi-Scale Simulations

scientific article published on 06 August 2019

Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II Introns

scientific article published on 16 June 2016

List of works by Lorenzo Casalino