Kamu erişimi zorunlu olan makaleler - Gareth TribelloDaha fazla bilgi edinin
Hiçbir yerde sunulmuyor: 2
Transient polymorphism in NaCl
F Giberti, GA Tribello, M Parrinello
Journal of chemical theory and computation 9 (6), 2526-2530, 2013
Zorunlu olanlar: Swiss National Science Foundation
On the quantum description of irradiation dynamics in systems of biological relevance
PM Dinh, LB du Bourg, CZ Gao, B Gu, L Lacombe, M McAllister, M Smyth, ...
Nanoscale Insights into Ion-Beam Cancer Therapy, 277-309, 2017
Zorunlu olanlar: National Natural Science Foundation of China, UK Engineering and Physical …
Bir yerde sunuluyor: 32
PLUMED 2: New feathers for an old bird
GA Tribello, M Bonomi, D Branduardi, C Camilloni, G Bussi
Computer physics communications 185 (2), 604-613, 2014
Zorunlu olanlar: European Commission, Government of Italy
i-PI 2.0: A universal force engine for advanced molecular simulations
V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ...
Computer Physics Communications 236, 214-223, 2019
Zorunlu olanlar: US National Science Foundation, Swiss National Science Foundation, Research …
Simplifying the representation of complex free-energy landscapes using sketch-map
M Ceriotti, GA Tribello, M Parrinello
Proceedings of the National Academy of Sciences 108 (32), 13023-13028, 2011
Zorunlu olanlar: Swiss National Science Foundation
Porous organic cages for sulfur hexafluoride separation
T Hasell, M Miklitz, A Stephenson, MA Little, SY Chong, R Clowes, ...
Journal of the American Chemical Society 138 (5), 1653-1659, 2016
Zorunlu olanlar: UK Engineering and Physical Sciences Research Council, European Commission
Using sketch-map coordinates to analyze and bias molecular dynamics simulations
GA Tribello, M Ceriotti, M Parrinello
Proceedings of the National Academy of Sciences 109 (14), 5196-5201, 2012
Zorunlu olanlar: Swiss National Science Foundation
Microscopic mechanism and kinetics of ice formation at complex interfaces: Zooming in on kaolinite
GC Sosso, T Li, D Donadio, GA Tribello, A Michaelides
The journal of physical chemistry letters 7 (13), 2350-2355, 2016
Zorunlu olanlar: US National Science Foundation, European Commission
Analyzing and driving cluster formation in atomistic simulations
GA Tribello, F Giberti, GC Sosso, M Salvalaglio, M Parrinello
Journal of chemical theory and computation 13 (3), 1317-1327, 2017
Zorunlu olanlar: Swiss National Science Foundation, European Commission
Ice formation on kaolinite: Insights from molecular dynamics simulations
GC Sosso, GA Tribello, A Zen, P Pedevilla, A Michaelides
The Journal of chemical physics 145 (21), 2016
Zorunlu olanlar: UK Engineering and Physical Sciences Research Council, UK Science and …
Interactions between low energy electrons and DNA: a perspective from first-principles simulations
J Kohanoff, M McAllister, GA Tribello, B Gu
Journal of Physics: Condensed Matter 29 (38), 383001, 2017
Zorunlu olanlar: UK Engineering and Physical Sciences Research Council
Locating binding poses in protein-ligand systems using reconnaissance metadynamics
P Söderhjelm, GA Tribello, M Parrinello
Proceedings of the National Academy of Sciences 109 (14), 5170-5175, 2012
Zorunlu olanlar: Swedish Research Council
Understanding the interaction between low-energy electrons and DNA nucleotides in aqueous solution
M McAllister, M Smyth, B Gu, GA Tribello, J Kohanoff
The Journal of Physical Chemistry Letters 6 (15), 3091-3097, 2015
Zorunlu olanlar: UK Engineering and Physical Sciences Research Council
Insights into mechanochemical reactions at the molecular level: simulated indentations of aspirin and meloxicam crystals
M Ferguson, MS Moyano, GA Tribello, DE Crawford, EM Bringa, ...
Chemical Science 10 (10), 2924-2929, 2019
Zorunlu olanlar: UK Engineering and Physical Sciences Research Council, Government of Argentina
Combining machine learning and enhanced sampling techniques for efficient and accurate calculation of absolute binding free energies
R Evans, L Hovan, GA Tribello, BP Cossins, C Estarellas, FL Gervasio
Journal of chemical theory and computation 16 (7), 4641-4654, 2020
Zorunlu olanlar: UK Engineering and Physical Sciences Research Council, European Commission
Predicting solvent effects on the structure of porous organic molecules
V Santolini, GA Tribello, KE Jelfs
Chemical Communications 51 (85), 15542-15545, 2015
Zorunlu olanlar: UK Engineering and Physical Sciences Research Council, European Commission
Nucleation of molecular crystals driven by relative information entropy
G Gobbo, MA Bellucci, GA Tribello, G Ciccotti, BL Trout
Journal of chemical theory and computation 14 (2), 959-972, 2018
Zorunlu olanlar: UK Engineering and Physical Sciences Research Council
Building maps in collective variable space
I Gimondi, GA Tribello, M Salvalaglio
The Journal of chemical physics 149 (10), 2018
Zorunlu olanlar: UK Engineering and Physical Sciences Research Council
Solvation effects on dissociative electron attachment to thymine
M McAllister, N Kazemigazestane, LT Henry, B Gu, I Fabrikant, ...
The Journal of Physical Chemistry B 123 (7), 1537-1544, 2019
Zorunlu olanlar: US National Science Foundation, UK Engineering and Physical Sciences …
Iterative unbiasing of quasi-equilibrium sampling
F Giberti, B Cheng, GA Tribello, M Ceriotti
Journal of chemical theory and computation 16 (1), 100-107, 2019
Zorunlu olanlar: Swiss National Science Foundation, European Commission
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