PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations.
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DOI: 10.1016/j.bpj.2017.12.003
Abstract: Molecular dynamics (MD) simulations have become ubiquitous in all areas of life sciences. The size and model complexity of MD simulations are rapidly growing along with increasing computing power and improved algorithms. This growth has… read more here.
Keywords: customizable visual; analysis; pycontact rapid; rapid customizable ... See more keywords