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A new high-level Python interface for MD simulation using GROMACS

The roots of the molecular simulation application can be traced back to physics where it was applied to simplified hard-sphere systems [1]. This field of molecular simulation study has gained a lot of interest since then and applied to perform simulations to fold small protein at multi-microsecond scale [2-4], predict functional properties of receptors and to capture the intermediate¬†transitions of the complex [5], and to study the movement and behavior of ligand in a binding pocket and also to predict interactions between receptors and ligands [6,7]. Continue reading “A new high-level Python interface for MD simulation using GROMACS” »

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BiR: Impact report – July 2016 & More

As we improve the quality of articles and as we are nearing our first collective birthday, Bioinformatics Review has expanded its reach, opening new avenues. The progress is summarised as below: We have partnered with London Business Conference Group to be official media partner for¬†Discovery Informatics and Analytics Summit 2016 Our scientific articles are starting… Keep Reading

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