Sfoglia per Autore
Folding of small knotted proteins: Insights from a mean field coarse-grained model
2015-01-01 Najafi, S.; Potestio, R.
Reply to comments by R. Klein on Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations
2015-01-01 Kreis, K.; Fogarty, A. C.; Kremer, K.; Potestio, R.
Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations
2015-01-01 Kreis, K.; Fogarty, A. C.; Kremer, K.; Potestio, R.
Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations
2016-01-01 Cortes-Huerto, R.; Kremer, K.; Potestio, R.
Adaptive resolution simulation of oligonucleotides
2016-01-01 Netz, P. A.; Potestio, R.; Kremer, K.
Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body Potentials
2016-01-01 Boereboom, Jelle M.; Potestio, Raffaello; Donadio, Davide; Bulo, Rosa E.
A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site
2016-01-01 Fogarty, A. C.; Potestio, R.; Kremer, K.
Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations
2016-01-01 Heidari, M.; Cortes-Huerto, R.; Donadio, D.; Potestio, R.
Discretized knot motion on a tensioned fiber induced by transverse waves
2016-01-01 Potestio, R.; Tubiana, L.
From classical to quantum and back: A Hamiltonian scheme for adaptive multiresolution classical/path-integral simulations
2016-01-01 Kreis, K.; Tuckerman, M. E.; Donadio, D.; Kremer, K.; Potestio, R.
Chirality modifies the interaction between knots
2016-01-01 Najafi, S.; Tubiana, L.; Podgornik, R.; Potestio, R.
Role of bending energy and knot chirality in knot distribution and their effective interaction along stretched semiflexible polymers
2016-01-01 Najafi, S.; Podgornik, R.; Potestio, R.; Tubiana, L.
Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions
2016-01-01 Kreis, K.; Potestio, R.; Kremer, K.; Fogarty, A. C.
The relative entropy is fundamental to adaptive resolution simulations
2016-01-01 Kreis, K.; Potestio, R.
Combined Experimental and Theoretical Investigation of Heating Rate on Growth of Iron Oxide Nanoparticles
2017-01-01 Sharifi Dehsari, H.; Heidari, M.; Halda R., A.; Tremel, W.; Jakob, G.; Donadio, D.; Potestio, R.; Asadi, K.
From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics
2017-01-01 Kreis, K.; Kremer, K.; Potestio, R.; Tuckerman, M. E.
Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues
2017-01-01 Fiorentini, Raffaele; Kremer, Kurt; Potestio, Raffaello; Fogarty, Aoife C.
Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution Scheme
2017-01-01 Tarenzi, T.; Calandrini, V.; Potestio, R.; Giorgetti, A.; Carloni, P.
Erratum: Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties (J. Chem. Phys. (2015) 142 (195101) DOI: 10.1063/1.4921347)
2017-01-01 Fogarty, A. C.; Potestio, R.; Kremer, K.
Spatially Resolved Thermodynamic Integration: An Efficient Method to Compute Chemical Potentials of Dense Fluids
2018-01-01 Heidari, Maziar; Kremer, Kurt; Cortes-Huerto, Robinson; Potestio, Raffaello
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