Ali Hassanali

Permanent Scientific Staff
Research Scientist
Ali Hassanali
Condensed Matter and Statistical Physics
+39 040 2240 175
ahassana@ictp.it
+39 040 2240 175
ahassana@ictp.it
LB-247
https://sites.google.com/view/alihassanaliresearchgroup/
0000-0002-3208-1488

Ali Hassanali

Publications

Journal article
2019
Low energy optical excitations as an indicator of structural changes initiated at the termini of amyloid proteins
Physical Chemistry Chemical Physics (2019)
Kwang Hyok Jong | Yavar T. Azar | Luca Grisanti | Amberley D. Stephens | Saul T. E. Jones | Dan Credgington | Gabriele S. Kaminski Schierle | Ali Hassanali
Journal article
2018
Quantum mechanical effects in zwitterionic amino acids: The case of proline, hydroxyproline, and alanine in water.
The Journal of chemical physics (2018)
Ulman K | Busch S | Hassanali AA
Journal article
2018
The importance of nuclear quantum effects in spectral line broadening of optical spectra and electrostatic properties in aromatic chromophores.
The Journal of chemical physics (2018)
Law YK | Hassanali AA
Journal article
2018
High and low density patches in simulated liquid water.
The Journal of chemical physics (2018)
Ansari N | Dandekar R | Caravati S | Sosso GC | Hassanali A
Journal article
2018
Hydrogen Bonds and Life in the Universe.
Life (Basel, Switzerland) (2018)
Vladilo G | Hassanali A
Journal article
2018
A Data Science Approach to Understanding Water Networks Around Biomolecules: The Case of Tri-Alanine in Liquid Water.
The journal of physical chemistry. B (2018)
Jong K | Hassanali AA
Journal article
2018
One-Dimensional Confinement Inhibits Water Dissociation in Carbon Nanotubes.
The journal of physical chemistry letters (2018)
Sirkin YAP | Hassanali A | Scherlis DA
Journal article
2018
Hierarchical lattice models of hydrogen-bond networks in water.
Physical review. E (2018)
Dandekar R | Hassanali AA
Journal article
2017
The excess proton at the air-water interface: The role of instantaneous liquid interfaces.
The Journal of chemical physics (2017)
Giberti F | Hassanali AA
Journal article
2017
Biomolecules at the amorphous silica/water interface: Binding and fluorescence anisotropy of peptides.
Colloids and surfaces. B, Biointerfaces (2017)
Shi B | Shin YK | Hassanali AA | Singer SJ
Journal article
2017
A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrils.
Physical chemistry chemical physics : PCCP (2017)
Grisanti L | Pinotsi D | Gebauer R | Kaminski Schierle GS | Hassanali AA
Journal article
2017
Decomposition of the Experimental Raman and Infrared Spectra of Acidic Water into Proton, Special Pair, and Counterion Contributions.
The journal of physical chemistry letters (2017)
Daly CA | Streacker LM | Sun Y | Pattenaude SR | Hassanali AA | Petersen PB | Corcelli SA | Ben-Amotz D
Journal article
2017
Hydrogen Bond Networks and Hydrophobic Effects in the Amyloid β<sub>30-35</sub> Chain in Water: A Molecular Dynamics Study.
Journal of chemical information and modeling (2017)
Jong K | Grisanti L | Hassanali A
Journal article
2016
Water Determines the Structure and Dynamics of Proteins.
Chemical reviews (2016)
Bellissent-Funel MC | Hassanali A | Havenith M | Henchman R | Pohl P | Sterpone F | van der Spoel D | Xu Y | Garcia AE
Journal article
2016
Probing Defects and Correlations in the Hydrogen-Bond Network of ab Initio Water.
Journal of chemical theory and computation (2016)
Gasparotto P | Hassanali AA | Ceriotti M
Journal article
2016
Characterizing the local solvation environment of OH(-) in water clusters with AIMD.
The Journal of chemical physics (2016)
Crespo Y | Hassanali A
Journal article
2016
On the Role of Nonspherical Cavities in Short Length-Scale Density Fluctuations in Water.
The journal of physical chemistry. A (2016)
Sosso GC | Caravati S | Rotskoff G | Vaikuntanathan S | Hassanali A
Journal article
2016
Proton Transfer and Structure-Specific Fluorescence in Hydrogen Bond-Rich Protein Structures.
Journal of the American Chemical Society (2016)
Pinotsi D | Grisanti L | Mahou P | Gebauer R | Kaminski CF | Hassanali A | Kaminski Schierle GS
Journal article
2016
Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine.
The Journal of chemical physics (2016)
Sappati S | Hassanali A | Gebauer R | Ghosh P
Journal article
2016
Ab Initio Quality NMR Parameters in Solid-State Materials Using a High-Dimensional Neural-Network Representation.
Journal of chemical theory and computation (2016)
Cuny J | Xie Y | Pickard CJ | Hassanali AA
Journal article
2016
Protons and Hydroxide Ions in Aqueous Systems.
Chemical reviews (2016)
Agmon N | Bakker HJ | Campen RK | Henchman RH | Pohl P | Roke S | Thämer M | Hassanali A
Journal article
2015
Role of Quantum Vibrations on the Structural, Electronic, and Optical Properties of 9-Methylguanine.
The journal of physical chemistry. A (2015)
Law YK | Hassanali AA
Journal article
2015
Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations.
The journal of physical chemistry. B (2015)
Kessler J | Elgabarty H | Spura T | Karhan K | Partovi-Azar P | Hassanali AA | Kühne TD
Journal article
2015
DNA Binding to the Silica Surface.
The journal of physical chemistry. B (2015)
Shi B | Shin YK | Hassanali AA | Singer SJ
Journal article
2015
Unveiling the Janus-Like Properties of OH(-).
The journal of physical chemistry letters (2015)
Crespo Y | Hassanali A
Journal article
2014
The role of quantum effects on structural and electronic fluctuations in neat and charged water.
The journal of physical chemistry. B (2014)
Giberti F | Hassanali AA | Ceriotti M | Parrinello M
Journal article
2014
Anomalous water diffusion in salt solutions.
Proceedings of the National Academy of Sciences of the United States of America (2014)
Ding Y | Hassanali AA | Parrinello M
Journal article
2014
Aqueous solutions: state of the art in ab initio molecular dynamics.
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences (2014)
Hassanali AA | Cuny J | Verdolino V | Parrinello M
Journal article
2014
Ab initio molecular dynamics study of the mechanism of proton recombination with a weak base.
The journal of physical chemistry. B (2014)
Cuny J | Hassanali AA
Journal article
2013
Proton transfer through the water gossamer.
Proceedings of the National Academy of Sciences of the United States of America (2013)
Hassanali A | Giberti F | Cuny J | Kühne TD | Parrinello M

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