19 results on '"Phatak, Prasad"'
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2. Catalysis of Ground State cis→trans Isomerization of Bacteriorhodopsin’s Retinal Chromophore by a Hydrogen-Bond Network
3. Amino Acids with an Intermolecular Proton Bond as Proton Storage Site in Bacteriorhodopsin
4. Catalysis of Ground State cis $$\rightarrow$$ → trans Isomerization of Bacteriorhodopsin’s Retinal Chromophore by a Hydrogen-Bond Network
5. The protonation state of Glu181 in rhodopsin revisited: interpretation of experimental data on the basis of QM/MM calculations
6. Long-distance proton transfer with a break in the bacteriorhodopsin active site
7. Catalysis of Ground State cis[Formula: see text] trans Isomerization of Bacteriorhodopsin's Retinal Chromophore by a Hydrogen-Bond Network.
8. Active Site Dynamical Effects in the Hydrogen Transfer Rate-limiting Step in the Catalysis of Linoleic Acid by Soybean Lipoxygenase-1 (SLO-1): Primary and Secondary Isotope Contributions
9. Untersuchung von Protonentransfer-Pfaden in Bakteriorhodopsin mit Multi-Längenskalen-Simulationen
10. Excitation energies of a water-bridged twisted retinal structure in the bacteriorhodopsin proton pump: a theoretical investigation
11. Gauging the Flexibility of the Active Site in Soybean Lipoxygenase-1 (SLO-1) through an Atom-Centered Density Matrix Propagation (ADMP) Treatment That Facilitates the Sampling of Rare Events
12. Influence of Water on Anharmonicity, Stability, and Vibrational Energy Distribution of Hydrogen-Bonded Adducts in Atmospheric Reactions: Case Study of the OH + Isoprene Reaction Intermediate Using Ab Initio Molecular Dynamics
13. Proton Storage Site in Bacteriorhodopsin: New Insights from Quantum Mechanics/Molecular Mechanics Simulations of Microscopic pKa and Infrared Spectra
14. Role of Arg82 in the Early Steps of the Bacteriorhodopsin Proton-Pumping Cycle
15. Vibrational Raman Spectra from the Self-Consistent Charge Density Functional Tight Binding Method via Classical Time-Correlation Functions
16. Use of ridge points in partial fingerprint matching
17. Comparison of ROC-based and likelihood methods for fingerprint verification
18. Influence of Water on Anharmonicity, Stability, and Vibrational Energy Distribution of Hydrogen-Bonded Adducts in Atmospheric Reactions: Case Study of the OH + Isoprene Reaction Intermediate Using Ab Initio Molecular Dynamics.
19. Proton Storage Site in Bacteriorhodopsin: New Insights from Quantum Mechanics/Molecular Mechanics Simulations of Microscopic pKa and Infrared Spectra.
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