Adam Kells
Adam Kells
Verified email at kcl.ac.uk
Title
Cited by
Cited by
Year
Dynamic histogram analysis to determine free energies and rates from biased simulations
LS Stelzl, A Kells, E Rosta, G Hummer
Journal of chemical theory and computation 13 (12), 6328-6342, 2017
342017
Variational identification of Markovian transition states
L Martini, A Kells, R Covino, G Hummer, NV Buchete, E Rosta
Physical Review X 7 (3), 031060, 2017
262017
Peptide dimerization-dissociation rates from replica exchange molecular dynamics
CT Leahy, A Kells, G Hummer, NV Buchete, E Rosta
The Journal of Chemical Physics 147 (15), 152725, 2017
152017
Can One Trust Kinetic and Thermodynamic Observables from Biased Metadynamics Simulations?: Detailed Quantitative Benchmarks on Millimolar Drug Fragment Dissociation
D Pramanik, Z Smith, A Kells, P Tiwary
The Journal of Physical Chemistry B 123 (17), 3672-3678, 2019
122019
Mean first passage times in variational coarse graining using Markov state models
A Kells, ZÉ Mihálka, A Annibale, E Rosta
The Journal of chemical physics 150 (13), 134107, 2019
82019
Calculating Kinetic Rates and Membrane Permeability from Biased Simulations
M Badaoui, A Kells, C Molteni, CJ Dickson, V Hornak, E Rosta
The Journal of Physical Chemistry B 122 (49), 11571-11578, 2018
72018
Limiting relaxation times from Markov state models
A Kells, A Annibale, E Rosta
The Journal of Chemical Physics 149 (7), 072324, 2018
52018
Dynamic histogram analysis to determine free energies and rates from biased simulations
LS Stelzl, A Kells, E Rosta, G Hummer
Biophysical Journal 114 (3), 557a-558a, 2018
32018
Correlation functions, mean first passage times, and the Kemeny constant
A Kells, V Koskin, E Rosta, A Annibale
The Journal of Chemical Physics 152 (10), 104108, 2020
22020
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Articles 1–9