Ali Hassanali
Title
Cited by
Cited by
Year
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
3362016
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
2522013
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
2382007
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
2282016
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
1392011
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
1392007
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
1052016
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
1022014
Anomalous water diffusion in salt solutions
Y Ding, AA Hassanali, M Parrinello
Proceedings of the National Academy of Sciences 111 (9), 3310-3315, 2014
882014
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
692011
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
622015
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
562008
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
522015
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
522010
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
492012
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
472006
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
452017
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
442014
Probing defects and correlations in the hydrogen-bond network of ab initio water
P Gasparotto, AA Hassanali, M Ceriotti
Journal of chemical theory and computation 12 (4), 1953-1964, 2016
402016
Ab Initio Quality NMR Parameters in Solid-State Materials Using a High-Dimensional Neural-Network Representation
J Cuny, Y Xie, CJ Pickard, AA Hassanali
Journal of chemical theory and computation 12 (2), 765-773, 2016
392016
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Articles 1–20