| The role of water in host-guest interaction V Rizzi, L Bonati, N Ansari, M Parrinello Nature Communications 12 (1), 93, 2021 | 65 | 2021 |
| Water regulates the residence time of Benzamidine in Trypsin N Ansari, V Rizzi, M Parrinello Nature Communications volume 13, 5438, 2022 | 45 | 2022 |
| High and low density patches in simulated liquid water N Ansari, R Dandekar, S Caravati, GC Sosso, A Hassanali The Journal of chemical physics 149 (20), 2018 | 45 | 2018 |
| Rare event kinetics from adaptive bias enhanced sampling D Ray, N Ansari, V Rizzi, M Invernizzi, M Parrinello Journal of Chemical Theory and Computation 18 (11), 6500-6509, 2022 | 44 | 2022 |
| Hole localization in from density functional theory and wave-function-based methods N Ansari, K Ulman, MF Camellone, N Seriani, R Gebauer, S Piccinin Physical Review Materials 1 (3), 035404, 2017 | 36 | 2017 |
| Line defects and induced doping effects in graphene, hexagonal boron nitride and hybrid BNC N Ansari, F Nazari, F Illas Physical Chemistry Chemical Physics 16 (39), 21473-21485, 2014 | 29 | 2014 |
| Spontaneously forming dendritic voids in liquid water can host small polymers N Ansari, A Laio, A Hassanali The journal of physical chemistry letters 10 (18), 5585-5591, 2019 | 28 | 2019 |
| Insights into the emerging networks of voids in simulated supercooled water N Ansari, B Onat, GC Sosso, A Hassanali The Journal of Physical Chemistry B 124 (11), 2180-2190, 2020 | 22 | 2020 |
| OneOPES, a combined enhanced sampling method to rule them all V Rizzi, S Aureli, N Ansari, FL Gervasio Journal of Chemical Theory and Computation 19 (17), 5731-5742, 2023 | 19 | 2023 |
| Water-triggered, irreversible conformational change of SARS-CoV-2 main protease on passing from the solid state to aqueous solution N Ansari, V Rizzi, P Carloni, M Parrinello J. Am. Chem. Soc. 143, 12930–12934, 2021 | 19 | 2021 |
| Role of structural symmetry breaking in the structurally induced robust superlubricity of graphene and h-BN homo-and hetero-junctions N Ansari, F Nazari, F Illas Carbon 96, 911-918, 2016 | 16 | 2016 |
| Squeezing oil into water under pressure: Inverting the hydrophobic effect CG Pruteanu, V Naden Robinson, N Ansari, A Hassanali, S Scandolo, ... The Journal of Physical Chemistry Letters 11 (12), 4826-4833, 2020 | 11 | 2020 |
| Molecular Mechanism of Gas Solubility in Liquid: Constant Chemical Potential Molecular Dynamics Simulations N Ansari, T Karmakar, M Parrinello Journal of chemical theory and computation, 2020 | 11 | 2020 |
| Theoretical study of electronic and tribological properties of h-BNC 2/graphene, h-BNC 2/h-BN and h-BNC 2/h-BNC 2 bilayers N Ansari, F Nazari, F Illas Physical Chemistry Chemical Physics 17 (19), 12908-12918, 2015 | 9 | 2015 |
| Understanding the quantum mechanical properties of hydrogen bonds in solvated biomolecules from cluster calculations KH Jong, N Ansari, L Grisanti, A Hassanali Journal of molecular liquids 263, 501-509, 2018 | 8 | 2018 |
| Simulation of Liquids with the Tight-Binding Density-Functional Approach and Improved Atomic Charges J Cuny, J Cerda Calatayud, N Ansari, AA Hassanali, M Rapacioli, ... The Journal of Physical Chemistry B 124 (34), 7421-7432, 2020 | 7 | 2020 |
| Unexpected single-ligand occupancy and negative cooperativity in the SARS-CoV-2 Main protease S Albani, E Costanzi, GL Hoang, M Kuzikov, M Frings, N Ansari, N Demitri, ... Journal of Chemical Information and Modeling 64 (3), 892-904, 2023 | 6 | 2023 |
| Charge gradients around dendritic voids cause nanoscale inhomogeneities in liquid water T Schonfeldova, N Dupertuis, Y Chen, N Ansari, E Poli, DM Wilkins, ... J. Phys. Chem. Lett. 13 (32), 7462–7468, 2022 | 6 | 2022 |
| Isotope effects of ground and lowest lying vibrational states of H3− xDxO2− complexes N Ansari, HD Meyer The Journal of chemical physics 144, 054308, 2016 | 5 | 2016 |
| Ionic Liquid Chiral Resolution: Methyl 2-Ammonium Chloride Propanoate on Al(854)S Surface N Jalili, N Ansari, F Vines, F Illas, F Nazari The Journal of Physical Chemistry C 118 (3), 1568-1575, 2014 | 3 | 2014 |
Valerio RizziUniversity of Genevaunige.ch의 이메일 확인됨