"Crystal molecular dynamics simulations to speed up MM/PB(GB)SA evaluation ..."

Ivan I. Vorontsov, Osamu Miyashita (2011)

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DOI: 10.1002/JCC.21683

access: closed

type: Journal Article

metadata version: 2020-05-30

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Ivan I. Vorontsov, Osamu Miyashita:
Crystal molecular dynamics simulations to speed up MM/PB(GB)SA evaluation of binding free energies of di-mannose deoxy analogs with P51G-m4-Cyanovirin-N. J. Comput. Chem. 32(6): 1043-1053 (2011)

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