ReFlexIn: A Flexible Receptor Protein-Ligand Docking Scheme Evaluated on HIV-1 Protease
出版年份 2012 全文链接
标题
ReFlexIn: A Flexible Receptor Protein-Ligand Docking Scheme Evaluated on HIV-1 Protease
作者
关键词
-
出版物
PLoS One
Volume 7, Issue 10, Pages e48008
出版商
Public Library of Science (PLoS)
发表日期
2012-10-25
DOI
10.1371/journal.pone.0048008
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。- Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling
- (2012) Francesca Spyrakis et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Exploring Protein Flexibility: Incorporating Structural Ensembles From Crystal Structures and Simulation into Virtual Screening Protocols
- (2012) David J. Osguthorpe et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Efficient inclusion of receptor flexibility in grid-based protein-ligand docking*
- (2011) Simon Leis et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Computer-aided drug-discovery techniques that account for receptor flexibility
- (2010) Jacob D Durrant et al. CURRENT OPINION IN PHARMACOLOGY
- Tackling the challenges posed by target flexibility in drug design
- (2010) Christian Beier et al. Expert Opinion on Drug Discovery
- 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
- Ensemble Docking from Homology Models
- (2010) Eva Maria Novoa et al. Journal of Chemical Theory and Computation
- A Reliable Docking/Scoring Scheme Based on the Semiempirical Quantum Mechanical PM6-DH2 Method Accurately Covering Dispersion and H-Bonding: HIV-1 Protease with 22 Ligands
- (2010) Jindřich Fanfrlík et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Virtual Screening for HIV Protease Inhibitors: A Comparison of AutoDock 4 and Vina
- (2010) Max W. Chang et al. PLoS One
- Managing protein flexibility in docking and its applications
- (2009) Chandrika B-Rao et al. DRUG DISCOVERY TODAY
- AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
- (2009) Garrett M. Morris et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- How to Efficiently Include Receptor Flexibility During Computational Docking
- (2008) Andreas May et al. Current Computer-Aided Drug Design
- Flexible ligand docking to multiple receptor conformations: a practical alternative
- (2008) Maxim Totrov et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Target Flexibility: An Emerging Consideration in Drug Discovery and Design†
- (2008) Pietro Cozzini et al. JOURNAL OF MEDICINAL CHEMISTRY
- Rapid structural fluctuations of the free HIV protease flaps in solution: Relationship to crystal structures and comparison with predictions of dynamics calculations
- (2002) Darón I. Freedberg et al. PROTEIN SCIENCE
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreAsk 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