ExLibris header image
SFX Logo
Title: pH-dependent Conformational Flexibility of the SARS-CoV Main Proteinase (Mpro) Dimer: Molecular Dynamics Simulations and Multiple X-ray Structure Analyses
Source:

Journal of Molecular Biology [0022-2836] Tan, Jinzhi yr:2005


Collapse list of basic services Basic
Sorry, no full text available...
Please use the document delivery service (see below)  
Holding information
Holdings in library search engine ALBERT GO
Document delivery
Request document via Library/Bibliothek GO
Users interested in this article also expressed an interest in the following:
1. Machuqueiro, M. "Constant-pH molecular dynamics with ionic strength effects: Protonation-conformation coupling in decalysine." The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical 110.6 (2006): 2927-2933. Link to Full Text for this item Link to SFX for this item
2. Chen, W. "Introducing Titratable Water to All-Atom Molecular Dynamics at Constant pH." Biophysical journal 105.4 (2013): -7. Link to Full Text for this item Link to SFX for this item
3. Hudáky, P. "Conformation dependence of pK(a): Ab initio and DFT investigation of histidine." The journal of physical chemistry. A 108.29 (2004): 6195-6205. Link to Full Text for this item Link to SFX for this item
4. Rosta, E. "Towards accurate ab initio QM/MM calculations of free-energy profiles of enzymatic reactions." The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical 110.6 (2006): 2934-2941. Link to Full Text for this item Link to SFX for this item
5. Chen, J. "Recent advances in implicit solvent-based methods for biomolecular simulations." Current opinion in structural biology 18.2 (2008): 140-148. Link to SFX for this item
6. Donnini, S. "Correction to Constant pH Molecular Dynamics in Explicit Solvent with λ-Dynamics." Journal of chemical theory and computation 9.7 (2013): 3261-3261. Link to Full Text for this item Link to SFX for this item
7. Ben Shimon, A. "Protonation States in Molecular Dynamics Simulations of Peptide Folding and Binding." Current pharmaceutical design 19.23 (2013): 4173-4181. Link to SFX for this item
8. Kennedy, J. "Carbohydrate reaction intermediates: Effect of ring-oxygen protonation on the structure and conformation of aldofuranosyl rings." Journal of the American Chemical Society 119.38 (1997): 8933-8945. Link to Full Text for this item Link to SFX for this item
9. Zou, J. "A role of the Trp-His interaction in the conformational switch between alpha-helix and beta-sheet in short alanine-based peptides." Perkin 2 10 (2000): 2135-2140. Link to SFX for this item
10. Kmunícek, J. "Quantitative analysis of substrate specificity of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26." Biochemistry 44.9 (2005): 3390-3401. Link to Full Text for this item Link to SFX for this item
11. Roux, B. "Implicit solvent models." Biophysical Chemistry 78.1-2 (1999): 1-20. Link to Full Text for this item Link to SFX for this item
12. Marenich, Donald V. "Self-consistent reaction field model for aqueous and nonaqueous solutions based on accurate polarized partial charges." Journal of chemical theory and computation 3.6 (2007): 2011-2033. Link to Full Text for this item Link to SFX for this item
13. Norberg, J. "Advances in biomolecular simulations: methodology and recent applications." Quarterly reviews of biophysics 36.3 (2003): 257-306. Link to SFX for this item
14. Ho, Paul L. "Proton and hydride transfers in solution: Hybrid QM/MM free energy perturbation study." The Journal of physical chemistry 100.11 (1996): 4466-4475. Link to Full Text for this item Link to SFX for this item
15. Rod, Thomas H. "Accurate QM/MM free energy calculations of enzyme reactions: Methylation by catechol O-methyltransferase." Journal of chemical theory and computation 1.6 (2005): 1240-1251. Link to Full Text for this item Link to SFX for this item
16. Urbanc, B. "Ab initio discrete molecular dynamics approach to protein folding and aggregation." Methods in enzymology 412.Amyloid (2006): 314-338. Link to SFX for this item
17. Scheraga, Harold A. A. "Protein-folding dynamics: Overview of molecular simulation techniques." Annual review of physical chemistry 58.1 (2007): 57-83. Link to Full Text for this item Link to SFX for this item
18. Florian, J. "Comment on molecular mechanics for chemical reactions." The journal of physical chemistry. A 106.19 (2002): 5046-5047. Link to Full Text for this item Link to SFX for this item
19. Takeuchi, K. "NMR studies of protein interactions." Current opinion in structural biology 16.1 (2006): 109-117. Link to SFX for this item
View More...
View Less...
Select All Clear All

Expand list of advanced services Advanced