High-performance virtual screening by targeting a high-resolution RNA dynamic ensemble
出版年份 2018 全文链接
标题
High-performance virtual screening by targeting a high-resolution RNA dynamic ensemble
作者
关键词
-
出版物
NATURE STRUCTURAL & MOLECULAR BIOLOGY
Volume 25, Issue 5, Pages 425-434
出版商
Springer Nature
发表日期
2018-04-26
DOI
10.1038/s41594-018-0062-4
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Non-coding RNAs as drug targets
- (2016) Masayuki Matsui et al. NATURE REVIEWS DRUG DISCOVERY
- Small molecules targeting viral RNA
- (2016) Thomas Hermann Wiley Interdisciplinary Reviews-RNA
- Structure based approaches for targeting non-coding RNAs with small molecules
- (2015) Matthew D Shortridge et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- FlexAID: Revisiting Docking on Non-Native-Complex Structures
- (2015) Francis Gaudreault et al. Journal of Chemical Information and Modeling
- Unveiling Inherent Degeneracies in Determining Population-Weighted Ensembles of Interdomain Orientational Distributions Using NMR Residual Dipolar Couplings: Application to RNA Helix Junction Helix Motifs
- (2015) Shan Yang et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Modulating RNA Alignment Using Directional Dynamic Kinks: Application in Determining an Atomic-Resolution Ensemble for a Hairpin using NMR Residual Dipolar Couplings
- (2015) Loïc Salmon et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Selective small-molecule inhibition of an RNA structural element
- (2015) John A. Howe et al. NATURE
- Development and application of aromatic [13C, 1H] SOFAST-HMQC NMR experiment for nucleic acids
- (2014) Bharathwaj Sathyamoorthy et al. JOURNAL OF BIOMOLECULAR NMR
- Assessing an Ensemble Docking-Based Virtual Screening Strategy for Kinase Targets by Considering Protein Flexibility
- (2014) Sheng Tian et al. Journal of Chemical Information and Modeling
- Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery
- (2014) Marcus Fischer et al. Nature Chemistry
- Measuring similarity between dynamic ensembles of biomolecules
- (2014) Shan Yang et al. NATURE METHODS
- Advances in the Determination of Nucleic Acid Conformational Ensembles
- (2013) Loïc Salmon et al. Annual Review of Physical Chemistry
- Exploring the role of receptor flexibility in structure-based drug discovery
- (2013) Ferran Feixas et al. BIOPHYSICAL CHEMISTRY
- A General Method for Constructing Atomic-Resolution RNA Ensembles using NMR Residual Dipolar Couplings: The Basis for Interhelical Motions Revealed
- (2013) Loïc Salmon et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Methods to enable the design of bioactive small molecules targeting RNA
- (2013) Matthew D. Disney et al. ORGANIC & BIOMOLECULAR CHEMISTRY
- Novel Insights of Structure-Based Modeling for RNA-Targeted Drug Discovery
- (2012) Lu Chen et al. Journal of Chemical Information and Modeling
- Potential and Limitations of Ensemble Docking
- (2012) Oliver Korb et al. Journal of Chemical Information and Modeling
- Evaluation of DOCK 6 as a pose generation and database enrichment tool
- (2012) Scott R. Brozell et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Docking and scoring with ICM: the benchmarking results and strategies for improvement
- (2012) Marco A. C. Neves et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
- (2012) Michael M. Mysinger et al. JOURNAL OF MEDICINAL CHEMISTRY
- Predictive Power of Molecular Dynamics Receptor Structures in Virtual Screening
- (2011) Sara E. Nichols et al. Journal of Chemical Information and Modeling
- Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble
- (2011) Andrew C Stelzer et al. Nature Chemical Biology
- 3D maps of RNA interhelical junctions
- (2011) Maximillian H Bailor et al. Nature Protocols
- Emerging Methods for Ensemble-Based Virtual Screening
- (2010) Rommie Amaro et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Accuracy Assessment of Protein-Based Docking Programs against RNA Targets
- (2010) Yaozong Li et al. Journal of Chemical Information and Modeling
- Ensemble Docking into Multiple Crystallographically Derived Protein Structures: An Evaluation Based on the Statistical Analysis of Enrichments
- (2010) Ian R. Craig et al. Journal of Chemical Information and Modeling
- Topology Links RNA Secondary Structure with Global Conformation, Dynamics, and Adaptation
- (2010) M. H. Bailor et al. SCIENCE
- Strategies for the design of RNA-binding small molecules
- (2009) Fareed Aboul-ela Future Medicinal Chemistry
- Recipes for the Selection of Experimental Protein Conformations for Virtual Screening
- (2009) Manuel Rueda et al. Journal of Chemical Information and Modeling
- Constructing RNA dynamical ensembles by combining MD and motionally decoupled NMR RDCs: new insights into RNA dynamics and adaptive ligand recognition
- (2009) Aaron T. Frank et al. NUCLEIC ACIDS RESEARCH
- DOCK 6: Combining techniques to model RNA-small molecule complexes
- (2009) P. T. Lang et al. RNA
- NMR: prediction of molecular alignment from structure using the PALES software
- (2008) Markus Zweckstetter Nature Protocols
- MADAMM: A multistaged docking with an automated molecular modeling protocol
- (2008) N. M. F. S. A. Cerqueira et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Recognition Dynamics Up to Microseconds Revealed from an RDC-Derived Ubiquitin Ensemble in Solution
- (2008) O. F. Lange et al. SCIENCE
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started