ISOLDE: Bringing structural biology to life

Features

Realistic Interactive molecular dynamics

At the heart of ISOLDE is a GPU-accelerated molecular dynamics engine (the OpenMM library) which uses the AMBER force field to treat the model as an explicitly physical object. The net effect is that the model is always settling towards the nearest energetically favourable state, and automatically excluding the vast majority of impossible configurations.

ISOLDE is developed and maintained by Tristan Croll at Altos Labs. Development began in the lab of Randy Read at the Cambridge Institute for Medical Research, supported by Prof. Read's Wellcome Trust Principal Research Fellowship 209407/Z/17/Z. Early development and testing was been aided by the generous donation of a GTX Titan Xp GPU by NVIDIA Corporation.

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