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Predicting binding free energies on a large scale

Predicting binding free energies on a large scale. The Binding Energy Distribution Analysis Method (BEDAM) Results from SAMPL4 and work with the HIVE Center at Scripps Markov State Models of Hamiltonian Replica Exchange. Acknowledgments. Emilio Gallicchio. Bin Zhang. Nan- jie Deng.

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505 views • 26 slides

Finding Modules in Networks with Non-modular Regions

Finding Modules in Networks with Non-modular Regions. Sharon Bruckner, Bastian Kayser, Tim Conrad Freie Uni. Berlin. What are networks with non-modular regions ?. Can every network be fully partitioned into dense clusters ? We introduce NCC networks . Modular region

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353 views • 19 slides

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Markov state model - PowerPoint PPT Presentation

Predicting binding free energies on a large scale

Finding Modules in Networks with Non-modular Regions