G. P. Lisi

High-Fidelity, Hyper-Accurate, and Evolved Mutants Rewire Atomic Level Communication in CRISPR-Cas9

The paper investigates how specific mutations in the Rec3 domain of CRISPR-Cas9 variants affect structural dynamics and allosteric communication to enhance specificity.

Identification and Mechanistic Basis of non-ACE2 Blocking Neutralizing Antibodies from COVID-19 Patients with Deep RNA Sequencing and Molecular Dynamics Simulations

The paper identifies non-ACE2 blocking neutralizing antibodies in COVID-19 patients using deep RNA sequencing and molecular dynamics simulations, showing their potential for personalized therapy.

Enhanced Specificity Mutations Perturb Allosteric Signaling in CRISPR-Cas9

The paper investigates how specificity-enhancing mutations in CRISPR-Cas9 affect allosteric signaling, showing that mutations like K855A disrupt the HNH domain structure and signaling transfer more than others.

Redox-dependent Structure and Dynamics of Macrophage Migration Inhibitory Factor Reveal Sites of Latent Allostery

This study investigates how redox conditions affect the structure and function of MIF, identifying redox-sensitive sites that modulate its interaction with CD74.

Mapping the Structural and Dynamic Determinants of pH-sensitive Heparin Binding to Granulocyte Macrophage-colony Stimulating Factor

This study investigates the pH and heparin chain length dependence of GMCSF-heparin binding using NMR, SPR, and molecular docking, revealing dynamic structural changes and a proposed binding mechanism.

Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics

This study uses NMR and GaMD simulations to investigate allosteric motions in the CRISPR-Cas9 HNH nuclease, revealing a dynamic pathway involved in DNA cleavage activation.

NMRdock: Lightweight and Modular NMR Processing

NMRdock provides a containerized solution for NMR data processing to reduce complexity and improve accessibility for newcomers and maintainability of software.