ExLibris header image
SFX Logo
Title: Experimental and Theoretical Approach to Hydrogen-Bonded Diastereomeric Interactions in a Model Complex
Source:

Journal of the American Chemical Society [0002-7863] Hünenberger, Philippe yr:1997


Collapse list of basic services Basic
Full text
Full text available via American Chemical Society Journals
GO
Document delivery
Request document via Library/Bibliothek GO
Users interested in this article also expressed an interest in the following:
1. Oostenbrink, C. "Free energies of binding of polychlorinated biphenyls to the estrogen receptor from a single simulation." Proteins 54.2 (2004): 237-246. Link to Full Text for this item Link to SFX for this item
2. Farrugia, Louis J. "The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (eta(5)-C(5)H(5))Mn(CO)(3), (eta(6)-C(6)H(6))Cr(CO)(3), and (E)-{(eta(5)-C(5)H(4))CF=CF(eta(5)-C(5)H(4))}(eta(5)-C(5)H." Journal of the American Chemical Society 131.3 (2009): 1251-1268. Link to Full Text for this item Link to SFX for this item
3. Ryou, J. "Origins of dihydrogen binding to metal-inserted porphyrins: Electric polarization and Kubas interaction." The Journal of chemical physics 134.23 (2011): 234701-234705. Link to Full Text for this item Link to SFX for this item
4. Kovacs, H.. "Solvent structure at a hydrophobic protein surface." Proteins 27.3 (1997): 395-404. Link to Full Text for this item Link to SFX for this item
5. D, Clara t. "Enveloping distribution sampling: a method to calculate free energy differences from a single simulation." The Journal of chemical physics 126.18 (2007): 184110-1. Link to Full Text for this item Link to SFX for this item
6. Liu, H. "Estimating the relative free energy of different molecular states with respect to a single reference state." The Journal of physical chemistry 100.22 (1996): 9485-9494. Link to SFX for this item
7. Zagrovic, B. "Computational analysis of the mechanism and thermodynamics of inhibition of phosphodiesterase 5A by synthetic ligands." Journal of chemical theory and computation 3.1 (2007): 301-311. Link to Full Text for this item Link to SFX for this item
8. Gilson, M. "The statistical-thermodynamic basis for computation of binding affinities: A critical review." Biophysical Journal 72.3 (1997): 1047-1069. Link to Full Text for this item Link to SFX for this item
9. Kollman, Peter A A. "Free energy calculations for theophylline binding to an RNA aptamer: Comparison of MM-PBSA and thermodynamic integration methods." Biopolymers 68.1 (2002): 16-34. Link to Full Text for this item Link to SFX for this item
10. Antonelli, Ahmad M. "Hydride-induced amplification of performance and binding enthalpies in chromium hydrazide gels for kubas-type hydrogen storage." Journal of the American Chemical Society 133.39 (2011): 15434-43. Link to Full Text for this item Link to SFX for this item
11. Sun, Y. "Altering the spin state of transition metal centers in metal-organic frameworks by molecular hydrogen adsorption: a first-principles study." PCCP. Physical chemistry chemical physics 13.11 (2011): 5042-5046. Link to Full Text for this item Link to SFX for this item
12. Antonelli, D. "Kubas-Type Hydrogen Storage in V(III) Polymers Using Tri- and Tetradentate Bridging Ligands." Journal of the American Chemical Society 133.13 (2011): 4955-4964. Link to Full Text for this item Link to SFX for this item
13. Farrugia, L. "Metal-Metal and Metal-Ligand Bonding at a QTAIM Catastrophe: A Combined Experimental and Theoretical Charge Density Study on the Alkylidyne Cluster Fe-3(mu-H)(mu-COMe)(CO)(10)." The journal of physical chemistry. A 114.51 (2010): 13418-13433. Link to Full Text for this item Link to SFX for this item
14. Nanzer, A. "Molecular dynamics simulation using weak-coupling NOE distance restraining." Journal of biomolecular NMR 8.3 (1996): 285-291. Link to Full Text for this item Link to SFX for this item
15. Wroblowski, B. "Molecular mechanisms of pressure induced conformational changes in BPTI." Proteins 25.4 (1996): 446-55. Link to Full Text for this item Link to SFX for this item
16. Daura, X. "Free energies of transfer of Trp analogs from chloroform to water : comparison of theory and experiment and the importance of adequate treatment of electrostatic and internal interactions." Journal of the American Chemical Society 118.26 (1996): 6285-6294. Link to Full Text for this item Link to SFX for this item
17. MARK, A. "CONVERGENCE PROPERTIES OF FREE-ENERGY CALCULATIONS - ALPHA-CYCLODEXTRIN COMPLEXES AS A CASE-STUDY." Journal of the American Chemical Society 116.14 (1994): 6293-6302. Link to Full Text for this item Link to SFX for this item
18. Deng, Y. "Computations of Standard Binding Free Energies with Molecular Dynamics Simulations." The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical 113.8 (2009): 2234-2246. Link to Full Text for this item Link to SFX for this item
19. Christ, C. "Simple, Efficient, and Reliable Computation of Multiple Free Energy Differences from a Single Simulation: A Reference Hamiltonian Parameter Update Scheme for Enveloping Distribution Sampling (EDS)." Journal of chemical theory and computation 5.2 (2009): 276-286. Link to Full Text for this item Link to SFX for this item
20. 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
View More...
View Less...
Select All Clear All

Expand list of advanced services Advanced
A service provided by the Library of the Wissenschaftspark Albert Einstein, Potsdam, Germany.
© 2005 SFX by Ex Libris Inc.