Spremljaj
Ali Hassanali
Naslov
Navedeno
Navedeno
Leto
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
8962016
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
4902016
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
4092013
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
2312016
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
2302011
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
1832014
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
1802007
Anomalous water diffusion in salt solutions
Y Ding, AA Hassanali, M Parrinello
Proceedings of the National Academy of Sciences 111 (9), 3310-3315, 2014
1662014
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
1532021
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
1472015
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
1152020
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
1122017
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
922011
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
882015
Hydrogen bonds and life in the universe
G Vladilo, A Hassanali
Life 8 (1), 1, 2018
762018
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
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
732021
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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