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Ali Hassanali
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Water determines the structure and dynamics of proteins
MC Bellissent-Funel, A Hassanali, M Havenith, R Henchman, P Pohl, ...
Chemical reviews 116 (13), 7673-7697, 2016
8872016
Protons and hydroxide ions in aqueous systems
N Agmon, HJ Bakker, RK Campen, RH Henchman, P Pohl, S Roke, ...
Chemical reviews 116 (13), 7642-7672, 2016
4922016
Proton transfer through the water gossamer
A Hassanali, F Giberti, J Cuny, TD Kühne, M Parrinello
Proceedings of the National Academy of Sciences 110 (34), 13723-13728, 2013
4032013
Hydration dynamics and time scales of coupled water− protein fluctuations
T Li, AA Hassanali, YT Kao, D Zhong, SJ Singer
Journal of the American Chemical Society 129 (11), 3376-3382, 2007
2802007
Proton transfer and structure-specific fluorescence in hydrogen bond-rich protein structures
D Pinotsi, L Grisanti, P Mahou, R Gebauer, CF Kaminski, A Hassanali, ...
Journal of the American Chemical Society 138 (9), 3046-3057, 2016
2322016
On the recombination of hydronium and hydroxide ions in water
A Hassanali, MK Prakash, H Eshet, M Parrinello
Proceedings of the National Academy of Sciences 108 (51), 20410-20415, 2011
2272011
Aqueous solutions: state of the art in ab initio molecular dynamics
AA Hassanali, J Cuny, V Verdolino, M Parrinello
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2014
1792014
Model for the water− amorphous silica interface: the undissociated surface
AA Hassanali, SJ Singer
The Journal of Physical Chemistry B 111 (38), 11181-11193, 2007
1792007
Anomalous water diffusion in salt solutions
Y Ding, AA Hassanali, M Parrinello
Proceedings of the National Academy of Sciences 111 (9), 3310-3315, 2014
1692014
Charge transfer across C–H⋅⋅⋅ O hydrogen bonds stabilizes oil droplets in water
S Pullanchery, S Kulik, B Rehl, A Hassanali, S Roke
Science 374 (6573), 1366-1370, 2021
1522021
DNA binding to the silica surface
B Shi, YK Shin, AA Hassanali, SJ Singer
The Journal of Physical Chemistry B 119 (34), 11030-11040, 2015
1492015
Charge transfer as a ubiquitous mechanism in determining the negative charge at hydrophobic interfaces
E Poli, KH Jong, A Hassanali
Nature communications 11 (1), 901, 2020
1132020
Decomposition of the experimental Raman and infrared spectra of acidic water into proton, special pair, and counterion contributions
CA Daly Jr, LM Streacker, Y Sun, SR Pattenaude, AA Hassanali, ...
The journal of physical chemistry letters 8 (21), 5246-5252, 2017
1112017
The water–amorphous silica interface: analysis of the Stern layer and surface conduction
H Zhang, AA Hassanali, YK Shin, C Knight, SJ Singer
The Journal of chemical physics 134 (2), 2011
932011
Structure and dynamics of the instantaneous water/vapor interface revisited by path-integral and ab initio molecular dynamics simulations
J Kessler, H Elgabarty, T Spura, K Karhan, P Partovi-Azar, AA Hassanali, ...
The Journal of Physical Chemistry B 119 (31), 10079-10086, 2015
872015
Thermal transport at a nanoparticle-water interface: A molecular dynamics and continuum modeling study
A Rajabpour, R Seif, S Arabha, MM Heyhat, S Merabia, A Hassanali
The Journal of chemical physics 150 (11), 2019
762019
Hydrogen bonds and life in the universe
G Vladilo, A Hassanali
Life 8 (1), 1, 2018
742018
Structure and dynamics of nanoconfined water and aqueous solutions
HR Corti, GA Appignanesi, MC Barbosa, JR Bordin, C Calero, ...
The European Physical Journal E 44, 1-50, 2021
702021
The dissociated amorphous silica surface: Model development and evaluation
AA Hassanali, H Zhang, C Knight, YK Shin, SJ Singer
Journal of chemical theory and computation 6 (11), 3456-3471, 2010
702010
The role of quantum effects on structural and electronic fluctuations in neat and charged water
F Giberti, AA Hassanali, M Ceriotti, M Parrinello
The Journal of Physical Chemistry B 118 (46), 13226-13235, 2014
682014
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