MoDAFold: a strategy for predicting the structure of missense mutant protein based on AlphaFold2 and molecular dynamics

L Zheng, S Shi, X Sun, M Lu, Y Liao… - Briefings in …, 2024 - academic.oup.com
Protein structure prediction is a longstanding issue crucial for identifying new drug targets
and providing a mechanistic understanding of protein functions. To enhance the progress in …

Developing community resources for nucleic acid structures

HM Berman, CL Lawson, B Schneider - Life, 2022 - mdpi.com
In this review, we describe the creation of the Nucleic Acid Database (NDB) at Rutgers
University and how it became a testbed for the current infrastructure of the RCSB Protein …

How bioinformatics resources work with G4 RNAs

J Miskiewicz, J Sarzynska… - Briefings in …, 2021 - academic.oup.com
Quadruplexes (G4s) are of interest, which increases with the number of identified G4
structures and knowledge about their biomedical potential. These unique motifs form in …

Comparative study of single-stranded oligonucleotides secondary structure prediction tools

T Binet, S Padiolleau-Lefèvre, S Octave, B Avalle… - BMC …, 2023 - Springer
Background Single-stranded nucleic acids (ssNAs) have important biological roles and a
high biotechnological potential linked to their ability to bind to numerous molecular targets …

ONQUADRO: a database of experimentally determined quadruplex structures

T Zok, N Kraszewska, J Miskiewicz… - Nucleic Acids …, 2022 - academic.oup.com
ONQUADRO is an advanced database system that supports the study of the structures of
canonical and non-canonical quadruplexes. It combines a relational database that collects …

G4Bank: a database of experimentally identified DNA G-quadruplex sequences

HS Zhong, MJ Dong, F Gao - Interdisciplinary Sciences: Computational …, 2023 - Springer
Abstract G-quadruplex (G4), a non-canonical nucleic acid structure, has been suggested to
play a key role in important cellular processes including transcription, replication and cancer …

Cellular mechanism of action of forsythiaside for the treatment of diabetic kidney disease

C Xu, H Miao, X Chen, H Zhang - Frontiers in Pharmacology, 2023 - frontiersin.org
Background: Diabetic kidney disease (DKD) becomes the leading cause of death for end-
stage renal disease, whereas the potential mechanism is unclear and effective therapy is …

LNA-induced dynamic stability in a therapeutic aptamer: Insights from molecular dynamics simulations

R Pal, I Deb, J Sarzynska, A Lahiri - Journal of Biomolecular …, 2023 - Taylor & Francis
Modulation of structural and thermodynamic properties of nucleic acids with synthetic
modifications is a promising area of research with possible applications in nanotechnology …

PyVibMS: a PyMOL plugin for visualizing vibrations in molecules and solids

Y Tao, W Zou, S Nanayakkara, E Kraka - Journal of Molecular Modeling, 2020 - Springer
Visualizing vibrational motions calculated with different ab initio packages requires
dedicated post-processing tools. Here, we present a PyMOL plugin called PyVibMS for …

SAMPDI-3D: predicting the effects of protein and DNA mutations on protein–DNA interactions

G Li, SK Panday, Y Peng, E Alexov - Bioinformatics, 2021 - academic.oup.com
Motivation Mutations that alter protein–DNA interactions may be pathogenic and cause
diseases. Therefore, it is extremely important to quantify the effect of mutations on protein …