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Florent Hédin
Florent Hédin
INRIA Paris
Adresse e-mail validée de inria.fr - Page d'accueil
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Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size
K El Hage, F Hédin, PK Gupta, M Meuwly, M Karplus
eLife 7, e35560, 2018
762018
Correction to A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase Simulations
F Hédin, K El Hage, M Meuwly
Journal of chemical information and modeling 57 (1), 102-103, 2017
34*2017
A toolkit to fit nonbonded parameters from and for condensed phase simulations
F Hédin, K El Hage, M Meuwly
Journal of chemical information and modeling 56 (8), 1479-1489, 2016
332016
A toolkit to fit nonbonded parameters from and for condensed phase simulations
F Hédin, K El Hage, M Meuwly
Journal of chemical information and modeling 56 (8), 1479-1489, 2016
332016
Response to comment on'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'
K El Hage, F Hédin, PK Gupta, M Meuwly, M Karplus
eLife 8, e45318, 2019
152019
Vibrational Relaxation and Energy Migration of N-Methylacetamide in Water: The Role of Nonbonded Interactions
PA Cazade, F Hédin, ZH Xu, M Meuwly
The Journal of Physical Chemistry B 119 (7), 3112-3122, 2015
142015
gen. parRep: a first implementation of the Generalized Parallel Replica dynamics for the long time simulation of metastable biochemical systems
F Hédin, T Lelièvre
Computer Physics Communications 239, 311-324, 2019
72019
A hybrid high-order method for flow simulations in discrete fracture networks.
F Hédin, G Pichot, A Ern
ENUMATH-European Numerical Mathematics and Advanced Applications Conference 2019, 2019
42019
Spatial Averaging: Sampling Enhancement for Exploring Configurational Space of Atomic Clusters and Biomolecules
F Hédin, N Plattner, JD Doll, M Meuwly
Journal of chemical theory and computation 10 (10), 4284-4296, 2014
22014
HHO-DFN: a Hybrid High Order (HHO) method for the simulation of flow in large tridimensional Discrete Fracture Networks (DFN)
F Hédin, G Pichot, A Ern
2019
Development and Application of Accurate Molecular Mechanics Sampling Methods: From Atomic Clusters to Protein Tetramers
FHR Hédin
Philosophisch-Naturwissenschaftliche Fakultät der Universität Basel, 2019
2019
Supporting information for: Performance and Free Energy Estimation for Solvated Polypeptides and Proteins Using Partial Infinite Swapping
F Hédin, N Plattner, JD Doll, M Meuwly
Performance and Free Energy Estimation for Solvated Polypeptides and Proteins Using Partial Infinite Swapping
F Hédin, N Plattner, JD Doll, M Meuwly
Whitepaper: IPAM Program “Complex Energy Landscapes”(fall 2017)
NF Aguirre, C Anderson, L Boninsegna, G Csányi, M del Razo, ...
Generalized Parallel Replica algorithm: implementation and application to chemical and biochemical systems
F Hedin, T Lelievre
A first implementation of the Generalized Parallel Replica dynamics for the long time simulation of metastable biochemical systems
F Hedin, T Lelievre
Supporting Information: Vibrational Relaxation and Energy Migration of N-methylacetamide in Water: The Role of Nonbonded Interactions
PA Cazade, F Hédin, ZH Xu, M Meuwly
Spatial Averaging: a new Monte Carlo approach for sampling rare-event problems.
F Hedin
Supporting information: A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase Simulations
F Hédin, K El Hage, M Meuwly
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