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