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 | 77 | 2018 |
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 | 33 | 2016 |
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 | 33 | 2016 |
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 | 15 | 2019 |
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 | 14 | 2015 |
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 | 7 | 2019 |
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 | 4 | 2019 |
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 | 2 | 2014 |
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 | | |