Abstract

Computational power has grown explosively over the last 10 years, making microsecond-scale simulations routine. However, in many cases their scientific impact is limited by an inability to extract useful information from this wealth of data. We created LOOS to unlock this previously unrealized potential. Molecular dynamics is unique among biophysical techniques in that the raw data can be interrogated in a multitude of ways; getting the most out of the data usually requires exploration and iterative refinement. LOOS is designed to make this process easy and efficient, to minimize the friction between a user and her data.

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