New Frontiers in the Characterization of Molecular Systems

from Thursday, 9 April 2015 (09:30) to Friday, 10 April 2015 (15:50)
Higgs Centre

        : Sessions
    /     : Talks
        : Breaks
9 Apr 2015
10 Apr 2015
AM
09:30 Property-guided energy landscape sampling for molecular design (Julien Michel, Edinburgh)   ()
10:30 --- Coffee Break ---
10:50 HTMD: A complete software environment for high-throughput molecular dynamics (Gianni De Fabritiis, Barcelona)   ()
11:50 --- Lunch Break ---
09:30 The transition-based reweighting analysis method (Frank Noe, Berlin)   ()
10:30 --- Coffe Break ---
10:50 Advanced sampling with Diffusion Coordinates (Cecilia Clementi, Houston)   ()
11:50 --- Lunch Break ---
PM
13:30 Calculating Probability Densities to Predict Entropy Changes in Molecular Systems (David Huggins, Cambridge)   ()
14:00 Determining Macromolecular Entropy from Force (Richard Henchman, Manchester)   ()
14:30 --- Coffee Break ---
14:50 Enhancing the force-field and the sampling in MD (Carlo Camilloni, Cambridge)   ()
15:50 An extended Hamiltonian approach to continuous tempering (Gianpaolo Gobbo)   ()
13:30 Clustering by fast search-and-find of density peaks (Alessandro Laio, Triest)   ()
14:30 --- Coffe Break ---
14:50 Efficient sampling of dynamical pathways in equilibrium kinetic networks (Peter Bolhuis, Amsterdam)   ()
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