Origins of specificity in protein-DNA recognition

R Rohs, X **, SM West, R Joshi… - Annual review of …, 2010 - annualreviews.org
Specific interactions between proteins and DNA are fundamental to many biological
processes. In this review, we provide a revised view of protein-DNA interactions that …

[HTML][HTML] A suite of tutorials for the WESTPA rare-events sampling software [Article v1. 0]

AT Bogetti, B Mostofian, A Dickson… - Living journal of …, 2019 - ncbi.nlm.nih.gov
The weighted ensemble (WE) strategy has been demonstrated to be highly efficient in
generating pathways and rate constants for rare events such as protein folding and protein …

[HTML][HTML] Making the bend: DNA tertiary structure and protein-DNA interactions

S Harteis, S Schneider - International journal of molecular sciences, 2014 - mdpi.com
DNA structure functions as an overlap** code to the DNA sequence. Rapid progress in
understanding the role of DNA structure in gene regulation, DNA damage recognition and …

Parmbsc1: a refined force field for DNA simulations

I Ivani, PD Dans, A Noy, A Pérez, I Faustino… - Nature …, 2016 - nature.com
We present parmbsc1, a force field for DNA atomistic simulation, which has been
parameterized from high-level quantum mechanical data and tested for nearly 100 systems …

Web 3DNA 2.0 for the analysis, visualization, and modeling of 3D nucleic acid structures

S Li, WK Olson, XJ Lu - Nucleic acids research, 2019 - academic.oup.com
Abstract Web 3DNA (w3DNA) 2.0 is a significantly enhanced version of the widely used
w3DNA server for the analysis, visualization, and modeling of 3D nucleic-acid-containing …

Structure, folding and flexibility of co-transcriptional RNA origami

EKS McRae, HØ Rasmussen, J Liu, A Bøggild… - Nature …, 2023 - nature.com
RNA origami is a method for designing RNA nanostructures that can self-assemble through
co-transcriptional folding with applications in nanomedicine and synthetic biology. However …

[HTML][HTML] Structural basis for Cas9 off-target activity

M Pacesa, CH Lin, A Cléry, A Saha, PR Arantes… - Cell, 2022 - cell.com
The target DNA specificity of the CRISPR-associated genome editor nuclease Cas9 is
determined by complementarity to a 20-nucleotide segment in its guide RNA. However …

AMOEBA polarizable atomic multipole force field for nucleic acids

C Zhang, C Lu, Z **g, C Wu, JP Piquemal… - Journal of chemical …, 2018 - ACS Publications
The AMOEBA polarizable atomic multipole force field for nucleic acids is presented. Valence
and electrostatic parameters were determined from high-level quantum mechanical data …

Ethidium bromide interactions with DNA: an exploration of a classic DNA–ligand complex with unbiased molecular dynamics simulations

R Galindo-Murillo, TE Cheatham III - Nucleic acids research, 2021 - academic.oup.com
Visualization of double stranded DNA in gels with the binding of the fluorescent dye
ethidium bromide has been a basic experimental technique in any molecular biology …

[PDF][PDF] New functionality of RNAComposer: an application to shape the axis of miR160 precursor structure

M Antczak, M Popenda, T Zok… - Acta Biochimica …, 2016 - frontierspartnerships.org
RNAComposer is a fully automated, web-interfaced system for RNA 3D structure prediction,
freely available at http://rnacomposer. cs. put. poznan. pl/and http://rnacomposer. ibch …