Exploration of binding and inhibition mechanism of a small molecule inhibitor of influenza virus H1N1 hemagglutinin by molecular dynamics simulation
出版年份 2017 全文链接
标题
Exploration of binding and inhibition mechanism of a small molecule inhibitor of influenza virus H1N1 hemagglutinin by molecular dynamics simulation
作者
关键词
-
出版物
Scientific Reports
Volume 7, Issue 1, Pages -
出版商
Springer Nature
发表日期
2017-06-13
DOI
10.1038/s41598-017-03719-4
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。- Conserved stem fragment from H3 influenza hemagglutinin elicits cross-clade neutralizing antibodies through stalk-targeted blocking of conformational change during membrane fusion
- (2016) Xin Gong et al. IMMUNOLOGY LETTERS
- Lowered pH Leads to Fusion Peptide Release and a Highly Dynamic Intermediate of Influenza Hemagglutinin
- (2016) Xingcheng Lin et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Evaluation of the immunogenicity and protective effects of a trivalent chimeric norovirus P particle immunogen displaying influenza HA2 from subtypes H1, H3 and B
- (2016) Xin Gong et al. Emerging Microbes & Infections
- Influenza virus-mediated membrane fusion: Structural insights from electron microscopy
- (2015) Juan Fontana et al. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
- Molecular Dynamics Simulations of Acylpeptide Hydrolase Bound to Chlorpyrifosmethyl Oxon and Dichlorvos
- (2015) Hanyong Jin et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Endocytosis of fluorescent cyclodextrins by intestinal Caco-2 cells and its role in paclitaxel drug delivery
- (2015) Katalin Réti-Nagy et al. INTERNATIONAL JOURNAL OF PHARMACEUTICS
- Stereoselectivity of phosphotriesterase with paraoxon derivatives: a computational study
- (2015) Dongling Zhan et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Insight into the interactive residues between two domains of human somatic Angiotensin-converting enzyme and Angiotensin II by MM-PBSA calculation and steered molecular dynamics simulation
- (2015) Shan-shan Guan et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Investigation of Inhibition Mechanism of Chemokine Receptor CCR5 by Micro-second Molecular Dynamics Simulations
- (2015) Ramin Ekhteiari Salmas et al. Scientific Reports
- Mutagenesis Studies of the H5 Influenza Hemagglutinin Stem Loop Region
- (2014) Aleksandar Antanasijevic et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Interactions of a Water-Soluble Fullerene Derivative with Amyloid-β Protofibrils: Dynamics, Binding Mechanism, and the Resulting Salt-Bridge Disruption
- (2014) Xiaoying Zhou et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Structural Stability of Influenza A(H1N1)pdm09 Virus Hemagglutinins
- (2014) H. Yang et al. JOURNAL OF VIROLOGY
- SWISS-MODEL: modelling protein tertiary and quaternary structure using evolutionary information
- (2014) Marco Biasini et al. NUCLEIC ACIDS RESEARCH
- Relating influenza virus membrane fusion kinetics to stoichiometry of neutralizing antibodies at the single-particle level
- (2014) Jason J. Otterstrom et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Order and disorder control the functional rearrangement of influenza hemagglutinin
- (2014) X. Lin et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Exploring the early stages of the pH-induced conformational change of influenza hemagglutinin
- (2014) Yu Zhou et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- New Small Molecule Entry Inhibitors Targeting Hemagglutinin-Mediated Influenza A Virus Fusion
- (2013) A. Basu et al. JOURNAL OF VIROLOGY
- Self-assembling influenza nanoparticle vaccines elicit broadly neutralizing H1N1 antibodies
- (2013) Masaru Kanekiyo et al. NATURE
- Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
- (2013) Yan Wu et al. Scientific Reports
- Computational Assay of H7N9 Influenza Neuraminidase Reveals R292K Mutation Reduces Drug Binding Affinity
- (2013) Christopher J. Woods et al. Scientific Reports
- Influenza neuraminidase inhibitors: antiviral action and mechanisms of resistance
- (2012) Jennifer L. McKimm-Breschkin Influenza and Other Respiratory Viruses
- Molecular Modeling to Provide Insight into the Substrate Binding and Catalytic Mechanism of Human Biliverdin-IXα Reductase
- (2012) Gang Fu et al. JOURNAL OF PHYSICAL CHEMISTRY B
- An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0
- (2011) Alpeshkumar K. Malde et al. Journal of Chemical Theory and Computation
- Structural Characterization of an Early Fusion Intermediate of Influenza Virus Hemagglutinin
- (2011) R. Xu et al. JOURNAL OF VIROLOGY
- Antivirals and resistance: influenza virus
- (2011) Michael G Ison Current Opinion in Virology
- Identification of optimum computational protocols for modeling the aryl hydrocarbon receptor (AHR) and its interaction with ligands
- (2010) Ashutosh S. Jogalekar et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Automated comparative protein structure modeling with SWISS-MODEL and Swiss-PdbViewer: A historical perspective
- (2010) Nicolas Guex et al. ELECTROPHORESIS
- Crystal molecular dynamics simulations to speed up MM/PB(GB)SA evaluation of binding free energies of di-mannose deoxy analogs with P51G-m4-Cyanovirin-N
- (2010) Ivan I. Vorontsov et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
- (2008) Berk Hess et al. Journal of Chemical Theory and Computation
- Structure of influenza hemagglutinin in complex with an inhibitor of membrane fusion
- (2008) R. J. Russell et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Energetics of the loop-to-helix transition leading to the coiled-coil structure of influenza virus hemagglutinin HA2 subunits
- (2008) Qiang Huang et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
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 MoreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started