Ensemble Docking in Drug Discovery
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May 2018 |
Augmented base pairing networks encode RNA-small molecule binding preferences
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July 2020 |
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
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April 1997 |
Structure based virtual screening identifies small molecule effectors for the sialoglycan binding protein Hsa
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October 2020 |
Protein–Ligand Scoring with Convolutional Neural Networks
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April 2017 |
Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database Screening
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November 2002 |
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
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December 2009 |
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
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January 2009 |
DrugScoreRNAKnowledge-Based Scoring Function To Predict RNA−Ligand Interactions
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August 2007 |
FlexX‐Scan: Fast, structure‐based virtual screening
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July 2004 |
RNA and Disease
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February 2009 |
Docking to RNA via Root-Mean-Square-Deviation-Driven Energy Minimization with Flexible Ligands and Flexible Targets
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May 2008 |
Synthetic small-molecule RNA ligands: future prospects as therapeutic agents
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January 2019 |
Unveiling the druggable RNA targets and small molecule therapeutics
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May 2019 |
NLDock: a Fast Nucleic Acid–Ligand Docking Algorithm for Modeling RNA/DNA–Ligand Complexes
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September 2021 |
AnnapuRNA: A scoring function for predicting RNA-small molecule binding poses
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February 2021 |
RNA–ligand molecular docking: Advances and challenges
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August 2021 |
rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids
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April 2014 |
Challenges and current status of computational methods for docking small molecules to nucleic acids
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April 2019 |
D3R grand challenge 2015: Evaluation of protein–ligand pose and affinity predictions
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September 2016 |
Landscape of transcription in human cells
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September 2012 |
Lead- and drug-like compounds: the rule-of-five revolution
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December 2004 |
Small molecules targeting viral RNA: Small molecules targeting viral RNA
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June 2016 |
Assessing Molecular Docking Tools to Guide Targeted Drug Discovery of CD38 Inhibitors
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July 2020 |
Pervasive Transcription of the Human Genome Produces Thousands of Previously Unidentified Long Intergenic Noncoding RNAs
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June 2013 |
How ‘Protein-Docking’ Translates into the New Emerging Field of Docking Small Molecules to Nucleic Acids?
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June 2020 |
Applications of machine learning in drug discovery and development
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April 2019 |
RNA processing and human disease
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February 2000 |
DOCK 6: Combining techniques to model RNA-small molecule complexes
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April 2009 |
Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges
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August 2018 |
Validation of Automated Docking Programs for Docking and Database Screening against RNA Drug Targets
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July 2004 |
New drugs cost US$2.6 billion to develop
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December 2014 |
Performance of machine-learning scoring functions in structure-based virtual screening
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April 2017 |
Innovation in the pharmaceutical industry: New estimates of R&D costs
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May 2016 |
Open Babel: An open chemical toolbox
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October 2011 |
Docking and scoring for nucleic acid–ligand interactions: Principles and current status
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March 2022 |
Methods to identify and optimize small molecules interacting with RNA (SMIRNAs)
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October 2019 |
Insights into the development of chemical probes for RNA
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August 2018 |
Accuracy Assessment of Protein-Based Docking Programs against RNA Targets
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May 2010 |
RLDOCK: A New Method for Predicting RNA–Ligand Interactions
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October 2020 |
Mechanisms of RNA-mediated Disease
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October 2008 |
Principles for targeting RNA with drug-like small molecules
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July 2018 |
Validation of an empirical RNA-ligand scoring function for fast flexible docking using RiboDock®
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March 2004 |
ITScore-NL: An Iterative Knowledge-Based Scoring Function for Nucleic Acid–Ligand Interactions
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December 2020 |
Computer-aided design of RNA-targeted small molecules: A growing need in drug discovery
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November 2021 |
Recent trends in RNA informatics: a review of machine learning and deep learning for RNA secondary structure prediction and RNA drug discovery
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May 2023 |
Pervasive transcription: illuminating the dark matter of bacterial transcriptomes
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July 2014 |
Protein-Based Virtual Screening Tools Applied for RNA–Ligand Docking Identify New Binders of the preQ1-Riboswitch
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August 2022 |
Comparing AutoDock and Vina in Ligand/Decoy Discrimination for Virtual Screening
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October 2019 |
RNAPosers: Machine Learning Classifiers for Ribonucleic Acid–Ligand Poses
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May 2020 |
Docking of Aminoglycosides to Hydrated and Flexible RNA
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January 2006 |
Computational drug discovery under RNA times
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January 2022 |
SPA-LN: a scoring function of ligand–nucleic acid interactions via optimizing both specificity and affinity
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April 2017 |
Computational protein–ligand docking and virtual drug screening with the AutoDock suite
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April 2016 |
How We Think about Targeting RNA with Small Molecules
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March 2020 |
Calculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pockets
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May 2015 |
RLDOCK method for predicting RNA-small molecule binding modes
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January 2022 |
Novel Insights of Structure-Based Modeling for RNA-Targeted Drug Discovery
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September 2012 |
Structure-Based Virtual Screening: From Classical to Artificial Intelligence
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April 2020 |
Evaluation of AutoDock and AutoDock Vina on the CASF-2013 Benchmark
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July 2018 |
Machine‐learning scoring functions for structure‐based virtual screening
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April 2020 |
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
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March 2004 |