Sampling of Protein Conformational Space Using Hybrid Simulations: A Critical Assessment of Recent Methods
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DOI: 10.3389/fmolb.2022.832847
Abstract: Recent years have seen several hybrid simulation methods for exploring the conformational space of proteins and their complexes or assemblies. These methods often combine fast analytical approaches with computationally expensive full atomic molecular dynamics (MD)… read more here.
Keywords: conformational space; sampling protein; four hybrid; hybrid methods ... See more keywords