Impact of calcium ions on the structural and dynamic properties of heparin oligosaccharides by computational analysis
出版年份 2022 全文链接
标题
Impact of calcium ions on the structural and dynamic properties of heparin oligosaccharides by computational analysis
作者
关键词
-
出版物
COMPUTATIONAL BIOLOGY AND CHEMISTRY
Volume 99, Issue -, Pages 107727
出版商
Elsevier BV
发表日期
2022-07-09
DOI
10.1016/j.compbiolchem.2022.107727
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Characterization of Heparin’s Conformational Ensemble by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Spectroscopy
- (2022) J. Joel Janke et al. Journal of Chemical Theory and Computation
- Carbohydrate Force Fields: The Role of Small Partial Atomic Charges in Preventing Conformational Collapse
- (2022) Ryan D. Lazar et al. Journal of Chemical Theory and Computation
- Modeling glycosaminoglycan–protein complexes
- (2022) Małgorzata M. Kogut et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Sulfation and Calcium Favor Compact Conformations of Chondroitin in Aqueous Solutions
- (2021) Olgun Guvench et al. ACS Omega
- Specific Ion Effects in Different Media: Current Status and Future Challenges
- (2021) Ramón Alain Miranda-Quintana et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Glycosaminoglycan–Protein Interactions: The First Draft of the Glycosaminoglycan Interactome
- (2020) Sylvain D. Vallet et al. JOURNAL OF HISTOCHEMISTRY & CYTOCHEMISTRY
- Array programming with NumPy
- (2020) Charles R. Harris et al. NATURE
- GAG-DB, the New Interface of the Three-Dimensional Landscape of Glycosaminoglycans
- (2020) Serge Pérez et al. Biomolecules
- Molecular dynamics insights into protein-glycosaminoglycan systems from microsecond-scale simulations
- (2019) Krzysztof K. Bojarski et al. BIOPOLYMERS
- Analysis of Procollagen C-Proteinase Enhancer-1/Glycosaminoglycan Binding Sites and of the Potential Role of Calcium Ions in the Interaction
- (2019) Potthoff et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Interactions between Sclerostin and Glycosaminoglycans
- (2019) Fuming Zhang et al. GLYCOCONJUGATE JOURNAL
- Multiscale modeling of glycosaminoglycan structure and dynamics: current methods and challenges
- (2018) Andrew Almond CURRENT OPINION IN STRUCTURAL BIOLOGY
- Specificity of glycosaminoglycan–protein interactions
- (2018) Lena Kjellén et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- So you think computational approaches to understanding glycosaminoglycan–protein interactions are too dry and too rigid? Think again!
- (2018) Nehru Viji Sankaranarayanan et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Proteoglycan Chemical Diversity Drives Multifunctional Cell Regulation and Therapeutics
- (2018) Nikos K. Karamanos et al. CHEMICAL REVIEWS
- Perspective on computational simulations of glycosaminoglycans
- (2018) Balaji Nagarajan et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Proteoglycans and Their Heterogeneous Glycosaminoglycans at the Atomic Scale
- (2015) Benedict M. Sattelle et al. BIOMACROMOLECULES
- Does Microsecond Sugar Ring Flexing Encode 3D-Shape and Bioactivity in the Heparanome?
- (2013) Benedict M. Sattelle et al. BIOMACROMOLECULES
- Multisite Ion Models That Improve Coordination and Free Energy Calculations in Molecular Dynamics Simulations
- (2013) Akansha Saxena et al. Journal of Chemical Theory and Computation
- PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
- (2013) Daniel R. Roe et al. Journal of Chemical Theory and Computation
- The Normal-Mode Entropy in the MM/GBSA Method: Effect of System Truncation, Buffer Region, and Dielectric Constant
- (2012) Samuel Genheden et al. Journal of Chemical Information and Modeling
- Dependence of Pyranose Ring Puckering on Anomeric Configuration: Methyl Idopyranosides
- (2012) Benedict M. Sattelle et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method
- (2012) Nadine Homeyer et al. Molecular Informatics
- Assigning kinetic 3D-signatures to glycocodes
- (2012) Benedict M. Sattelle et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Is N-acetyl-d-glucosamine a rigid 4C1 chair?
- (2011) Benedict M Sattelle et al. GLYCOBIOLOGY
- Characterization of the interaction of interleukin-8 with hyaluronan, chondroitin sulfate, dermatan sulfate and their sulfated derivatives by spectroscopy and molecular modeling
- (2011) Annelie Pichert et al. GLYCOBIOLOGY
- Docking glycosaminoglycans to proteins: analysis of solvent inclusion
- (2011) Sergey A. Samsonov et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Binding of Heparin to Metals
- (2010) Ivan Stevic et al. CELL BIOCHEMISTRY AND BIOPHYSICS
- Molecular simulations of carbohydrates and protein–carbohydrate interactions: motivation, issues and prospects
- (2010) Elisa Fadda et al. DRUG DISCOVERY TODAY
- Binding of Procollagen C-Proteinase Enhancer-1 (PCPE-1) to Heparin/Heparan Sulfate
- (2010) Tali Weiss et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Free Energy Landscapes of Iduronic Acid and Related Monosaccharides
- (2010) Benedict M. Sattelle et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Free energy calculations of glycosaminoglycan–protein interactions
- (2009) Neha S Gandhi et al. GLYCOBIOLOGY
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