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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
6062016
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
3692016
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
3562013
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
2692007
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
1862011
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
1712016
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
1572007
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
1492014
Anomalous water diffusion in salt solutions
Y Ding, AA Hassanali, M Parrinello
Proceedings of the National Academy of Sciences 111 (9), 3310-3315, 2014
1292014
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
1032015
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), 024705, 2011
882011
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
862017
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
702015
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
632014
Origin of slow relaxation following photoexcitation of W7 in myoglobin and the dynamics of its hydration layer
T Li, AA Hassanali, SJ Singer
The Journal of Physical Chemistry B 112 (50), 16121-16134, 2008
612008
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
602010
The fuzzy quantum proton in the hydrogen chloride hydrates
AA Hassanali, J Cuny, M Ceriotti, CJ Pickard, M Parrinello
Journal of the American Chemical Society 134 (20), 8557-8569, 2012
562012
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
552020
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), 114701, 2019
552019
A molecular dynamics study of Lys-Trp-Lys: structure and dynamics in solution following photoexcitation
AA Hassanali, T Li, D Zhong, SJ Singer
The Journal of Physical Chemistry B 110 (21), 10497-10508, 2006
542006
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Articles 1–20