Use of molecular docking computational tools in drug discovery
F Stanzione, I Giangreco, JC Cole - Progress in medicinal chemistry, 2021 - Elsevier
Molecular docking has become an important component of the drug discovery process.
Since first being developed in the 1980s, advancements in the power of computer hardware …
Since first being developed in the 1980s, advancements in the power of computer hardware …
Chloroplast translation: structural and functional organization, operational control, and regulation
R Zoschke, R Bock - The Plant Cell, 2018 - academic.oup.com
Chloroplast translation is essential for cellular viability and plant development. Its positioning
at the intersection of organellar RNA and protein metabolism makes it a unique point for the …
at the intersection of organellar RNA and protein metabolism makes it a unique point for the …
A task-specific encoding algorithm for RNAs and RNA-associated interactions based on convolutional autoencoder
RNAs play essential roles in diverse physiological and pathological processes by interacting
with other molecules (RNA/protein/compound), and various computational methods are …
with other molecules (RNA/protein/compound), and various computational methods are …
How Good Are Current Docking Programs at Nucleic Acid–Ligand Docking? A Comprehensive Evaluation
Nucleic acid (NA)–ligand interactions are of paramount importance in a variety of biological
processes, including cellular reproduction and protein biosynthesis, and therefore, NAs …
processes, including cellular reproduction and protein biosynthesis, and therefore, NAs …
RNA–ligand molecular docking: Advances and challenges
With rapid advances in computer algorithms and hardware, fast and accurate virtual
screening has led to a drastic acceleration in selecting potent small molecules as drug …
screening has led to a drastic acceleration in selecting potent small molecules as drug …
[HTML][HTML] A renaissance in RNA synthetic biology: new mechanisms, applications and tools for the future
Highlights•We review recent progress in RNA synthetic biology.•New advances in synthetic
RNA regulator design have created high-performing/functioning parts.•New generation of …
RNA regulator design have created high-performing/functioning parts.•New generation of …
Computer-aided design of RNA-targeted small molecules: A growing need in drug discovery
In recent years, researchers have identified certain RNAs as druggable targets for small
molecules to treat several human pathologies. However, these regulatory RNAs are …
molecules to treat several human pathologies. However, these regulatory RNAs are …
RLBind: a deep learning method to predict RNA–ligand binding sites
Identification of RNA–small molecule binding sites plays an essential role in RNA-targeted
drug discovery and development. These small molecules are expected to be leading …
drug discovery and development. These small molecules are expected to be leading …
AnnapuRNA: A scoring function for predicting RNA-small molecule binding poses
F Stefaniak, JM Bujnicki - PLoS computational biology, 2021 - journals.plos.org
RNA is considered as an attractive target for new small molecule drugs. Designing active
compounds can be facilitated by computational modeling. Most of the available tools …
compounds can be facilitated by computational modeling. Most of the available tools …
Theory and modeling of RNA structure and interactions with metal ions and small molecules
In addition to continuous rapid progress in RNA structure determination, probing, and
biophysical studies, the past decade has seen remarkable advances in the development of …
biophysical studies, the past decade has seen remarkable advances in the development of …