标题
MTiOpenScreen: a web server for structure-based virtual screening
作者
关键词
-
出版物
NUCLEIC ACIDS RESEARCH
Volume 43, Issue W1, Pages W448-W454
出版商
Oxford University Press (OUP)
发表日期
2015-04-09
DOI
10.1093/nar/gkv306
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。- 2014 FDA drug approvals
- (2015) Asher Mullard NATURE REVIEWS DRUG DISCOVERY
- Methods for Docking Small Molecules to Macromolecules: A User’s Perspective. 1. The Theory
- (2014) Nathanael Weill et al. CURRENT PHARMACEUTICAL DESIGN
- Focused chemical libraries – design and enrichment: an example of protein–protein interaction chemical space
- (2014) Xu Zhang et al. Future Medicinal Chemistry
- Drug-Like ProteinProtein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology
- (2014) Bruno O. Villoutreix et al. Molecular Informatics
- GalaxySite: ligand-binding-site prediction by using molecular docking
- (2014) Lim Heo et al. NUCLEIC ACIDS RESEARCH
- A multi-fingerprint browser for the ZINC database
- (2014) Mahendra Awale et al. NUCLEIC ACIDS RESEARCH
- istar: A Web Platform for Large-Scale Protein-Ligand Docking
- (2014) Hongjian Li et al. PLoS One
- Rational Design of Small-Molecule Stabilizers of Spermine Synthase Dimer by Virtual Screening and Free Energy-Based Approach
- (2014) Zhe Zhang et al. PLoS One
- iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein–protein interactions
- (2013) Céline M. Labbé et al. DRUG DISCOVERY TODAY
- CovalentDock Cloud: a web server for automated covalent docking
- (2013) Xuchang Ouyang et al. NUCLEIC ACIDS RESEARCH
- PubChem BioAssay: 2014 update
- (2013) Yanli Wang et al. NUCLEIC ACIDS RESEARCH
- The good, the bad and the dubious: VHELIBS, a validation helper for ligands and binding sites
- (2013) Adrià Cereto-Massagué et al. Journal of Cheminformatics
- Protein–protein interaction inhibitors get into the groove
- (2012) Asher Mullard NATURE REVIEWS DRUG DISCOVERY
- The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections
- (2011) David Lagorce et al. BIOINFORMATICS
- Structure-based drug design to augment hit discovery
- (2011) Subha Kalyaanamoorthy et al. DRUG DISCOVERY TODAY
- Identifying and characterizing promiscuous targets: Implications for virtual screening
- (2011) Violeta I Pérez-Nueno et al. Expert Opinion on Drug Discovery
- iScreen: world’s first cloud-computing web server for virtual screening and de novo drug design based on TCM database@Taiwan
- (2011) Tsung-Ying Tsai et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- SwissDock, a protein-small molecule docking web service based on EADock DSS
- (2011) A. Grosdidier et al. NUCLEIC ACIDS RESEARCH
- New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
- (2010) Jonathan B. Baell et al. JOURNAL OF MEDICINAL CHEMISTRY
- Frog2: Efficient 3D conformation ensemble generator for small compounds
- (2010) M. A. Miteva et al. NUCLEIC ACIDS RESEARCH
- fpocket: online tools for protein ensemble pocket detection and tracking
- (2010) P. Schmidtke et al. NUCLEIC ACIDS RESEARCH
- e-LEA3D: a computational-aided drug design web server
- (2010) D. Douguet NUCLEIC ACIDS RESEARCH
- Designing Focused Chemical Libraries Enriched in Protein-Protein Interaction Inhibitors using Machine-Learning Methods
- (2010) Christelle Reynès et al. PLoS Computational Biology
- Mobyle: a new full web bioinformatics framework
- (2009) B. Neron et al. BIOINFORMATICS
- Rationalizing the chemical space of protein–protein interaction inhibitors
- (2009) Olivier Sperandio et al. DRUG DISCOVERY TODAY
- AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
- (2009) Oleg Trott et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
- (2009) Garrett M. Morris et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Automated Docking Screens: A Feasibility Study
- (2009) John J. Irwin et al. JOURNAL OF MEDICINAL CHEMISTRY
- Fully Automated Molecular Mechanics Based Induced Fit Protein−Ligand Docking Method
- (2008) Jürgen Koska et al. Journal of Chemical Information and Modeling
Create your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create NowAsk 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