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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
8652016
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
4772016
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
4022013
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
2792007
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
2262016
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
2242011
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
1782007
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
1722014
Anomalous water diffusion in salt solutions
Y Ding, AA Hassanali, M Parrinello
Proceedings of the National Academy of Sciences 111 (9), 3310-3315, 2014
1612014
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
1442015
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
1422021
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
1062017
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
1042020
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
852015
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
752019
Hydrogen bonds and life in the universe
G Vladilo, A Hassanali
Life 8 (1), 1, 2018
712018
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
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
672021
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