LigandRNA: computational predictor of RNA–ligand interactions
RNA molecules have recently become attractive as potential drug targets due to the
increased awareness of their importance in key biological processes. The increase of the …
increased awareness of their importance in key biological processes. The increase of the …
RLDOCK: a new method for predicting RNA–ligand interactions
The ability to accurately predict the binding site, binding pose, and binding affinity for ligand–
RNA binding is important for RNA-targeted drug design. Here, we describe a new …
RNA binding is important for RNA-targeted drug design. Here, we describe a new …
RLDOCK method for predicting RNA-small molecule binding modes
Y Jiang, SJ Chen - Methods, 2022 - Elsevier
RNA molecules play critical roles in cellular functions at the level of gene expression and
regulation. The intricate 3D structures and the functional roles of RNAs make RNA …
regulation. The intricate 3D structures and the functional roles of RNAs make RNA …
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 …
DOCK 6: Combining techniques to model RNA–small molecule complexes
PT Lang, SR Brozell, S Mukherjee, EF Pettersen… - Rna, 2009 - rnajournal.cshlp.org
With an increasing interest in RNA therapeutics and for targeting RNA to treat disease, there
is a need for the tools used in protein-based drug design, particularly DOCKing algorithms …
is a need for the tools used in protein-based drug design, particularly DOCKing algorithms …
Augmented base pairing networks encode RNA-small molecule binding preferences
RNA-small molecule binding is a key regulatory mechanism which can stabilize 3D
structures and activate molecular functions. The discovery of RNA-targeting compounds is …
structures and activate molecular functions. The discovery of RNA-targeting compounds is …
Novel insights of structure-based modeling for RNA-targeted drug discovery
Substantial progress in RNA biology highlights the importance of RNAs (eg, microRNAs) in
diseases and the potential of targeting RNAs for drug discovery. However, the lack of RNA …
diseases and the potential of targeting RNAs for drug discovery. However, the lack of RNA …
DrugScoreRNAKnowledge-Based Scoring Function To Predict RNA−Ligand Interactions
P Pfeffer, H Gohlke - Journal of chemical information and …, 2007 - ACS Publications
There is growing interest in RNA as a drug target due to its widespread involvement in
biological processes. To exploit the power of structure-based drug-design approaches …
biological processes. To exploit the power of structure-based drug-design approaches …
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 …
Can Current Molecular Docking Methods Accurately Predict RNA Inhibitors?
KKJ Gunasinghe, IRH Ginjom, HS San… - Journal of Chemical …, 2024 - ACS Publications
Ribonucleic acids (RNAs), particularly the noncoding RNAs, play key roles in cancer,
making them attractive drug targets. While conventional methods such as high throughput …
making them attractive drug targets. While conventional methods such as high throughput …