Investigating DNA supercoiling in eukaryotic genomes

S Corless, N Gilbert - Briefings in functional genomics, 2017 - academic.oup.com
Supercoiling is a fundamental property of DNA, generated by polymerases and other DNA-
binding proteins as a consequence of separating/bending the DNA double helix. DNA …

PyContact: rapid, customizable, and visual analysis of noncovalent interactions in MD simulations

M Scheurer, P Rodenkirch, M Siggel, RC Bernardi… - Biophysical journal, 2018 - cell.com
Molecular dynamics (MD) simulations have become ubiquitous in all areas of life sciences.
The size and model complexity of MD simulations are rapidly growing along with increasing …

Remdesivir and ledipasvir among the FDA-approved antiviral drugs have potential to inhibit SARS-CoV-2 replication

RH Pirzada, M Haseeb, M Batool, MS Kim, S Choi - Cells, 2021 - mdpi.com
The rapid spread of the virus, the surge in the number of deaths, and the unavailability of
specific SARS-CoV-2 drugs thus far necessitate the identification of drugs with anti-COVID …

Current genome editing tools in gene therapy: new approaches to treat cancer

O Shuvalov, A Petukhov, A Daks… - Current gene …, 2015 - ingentaconnect.com
Gene therapy suggests a promising approach to treat genetic diseases by applying genes
as pharmaceuticals. Cancer is a complex disease, which strongly depends on a particular …

Molecular dynamics simulations of wild type and mutants of SAPAP in complexed with Shank3

L Piao, Z Chen, Q Li, R Liu, W Song, R Kong… - International journal of …, 2019 - mdpi.com
Specific interactions between scaffold protein SH3 and multiple ankyrin repeat domains
protein 3 (Shank3) and synapse-associated protein 90/postsynaptic density-95–associated …

Direct observation of TALE protein dynamics reveals a two-state search mechanism

L Cuculis, Z Abil, H Zhao, CM Schroeder - Nature communications, 2015 - nature.com
Transcription activator-like effector (TALE) proteins are a class of programmable DNA-
binding proteins for which the fundamental mechanisms governing the search process are …

A TAL effector repeat architecture for frameshift binding

A Richter, J Streubel, C Blücher, B Szurek… - Nature …, 2014 - nature.com
Transcription activator-like effectors (TALEs) are important Xanthomonas virulence factors
that bind DNA via a unique tandem 34-amino-acid repeat domain to induce expression of …

Repeat 1 of TAL effectors affects target specificity for the base at position zero

T Schreiber, U Bonas - Nucleic acids research, 2014 - academic.oup.com
AvrBs3, the founding member of the Xanthomonas transcription-activator-like effectors
(TALEs), is translocated into the plant cell where it localizes to the nucleus and acts as …

Molecular dynamics simulation study reveals potential substrate entry path into γ-secretase/presenilin-1

R Kong, S Chang, W Xia, STC Wong - Journal of structural biology, 2015 - Elsevier
Abstract Presenilin 1 (PS1) is the catalytic unit of γ-secretase which cleaves more than one
hundred substrates. Among them, amyloid precursor protein (APP) and Notch are notable …

Cross Dimerization of Amyloid-β and αSynuclein Proteins in Aqueous Environment: A Molecular Dynamics Simulations Study

JC Jose, P Chatterjee, N Sengupta - PloS one, 2014 - journals.plos.org
Self-assembly of the intrinsically unstructured proteins, amyloid beta (A β) and alpha
synclein (αSyn), are associated with Alzheimer's Disease, and Parkinson's and Lewy Body …