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A tool written in Scala for preparation and analysis in MD simulation and 3D-RISM calculation of biomolecules
Researchers studying biomolecules require easy-to-use, customizable tools allowing them to effectively use other molecular science packages written for molecular dynamics (MD), quantum chemistry, statistical mechanics, and molecular graphics. This paper presents a Scala tool for the computational sc...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Biophysical Society of Japan (BSJ)
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6975905/ https://www.ncbi.nlm.nih.gov/pubmed/31984200 http://dx.doi.org/10.2142/biophysico.16.0_485 |