Structural biology of CRISPR–Cas immunity and genome editing enzymes

JY Wang, P Pausch, JA Doudna - Nature Reviews Microbiology, 2022 - nature.com
CRISPR–Cas systems provide resistance against foreign mobile genetic elements and have
a wide range of genome editing and biotechnological applications. In this Review, we …

Gaussian accelerated molecular dynamics: Principles and applications

J Wang, PR Arantes, A Bhattarai… - Wiley …, 2021 - Wiley Online Library
Gaussian accelerated molecular dynamics (GaMD) is a robust computational method for
simultaneous unconstrained enhanced sampling and free energy calculations of …

Functional DNA regulated CRISPR-Cas12a sensors for point-of-care diagnostics of non-nucleic-acid targets

Y ** allosteric communications within individual proteins
J Wang, A Jain, LR McDonald, C Gambogi… - Nature …, 2020 - nature.com
Allostery in proteins influences various biological processes such as regulation of gene
transcription and activities of enzymes and cell signaling. Computational approaches for …

Clustered regularly interspaced short palindromic repeats/Cas9 triggered isothermal amplification for site-specific nucleic acid detection

M Huang, X Zhou, H Wang, D **ng - Analytical chemistry, 2018 - ACS Publications
A novel CRISPR/Cas9 triggered isothermal exponential amplification reaction (CAS-
EXPAR) strategy based on CRISPR/Cas9 cleavage and nicking endonuclease (NEase) …

New Insights into the Cooperativity and Dynamics of Dimeric Enzymes

KW Chen, TY Sun, YD Wu - Chemical Reviews, 2023 - ACS Publications
A survey of protein databases indicates that the majority of enzymes exist in oligomeric
forms, with about half of those found in the UniProt database being homodimeric …

Eigenvector centrality for characterization of protein allosteric pathways

CFA Negre, UN Morzan… - Proceedings of the …, 2018 - National Acad Sciences
Determining the principal energy-transfer pathways responsible for allosteric communication
in biomolecules remains challenging, partially due to the intrinsic complexity of the systems …

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

L Casalino, Ł Nierzwicki, M **ek, G Palermo - ACS catalysis, 2020 - ACS Publications
CRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease
Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is …