MoDAFold: a strategy for predicting the structure of missense mutant protein based on AlphaFold2 and molecular dynamics
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 …
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 …
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 …
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 …
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 …
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 …
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 …
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
Modulation of structural and thermodynamic properties of nucleic acids with synthetic
modifications is a promising area of research with possible applications in nanotechnology …
modifications is a promising area of research with possible applications in nanotechnology …
PyVibMS: a PyMOL plugin for visualizing vibrations in molecules and solids
Visualizing vibrational motions calculated with different ab initio packages requires
dedicated post-processing tools. Here, we present a PyMOL plugin called PyVibMS for …
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
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 …
diseases. Therefore, it is extremely important to quantify the effect of mutations on protein …