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Shingo Ito, Dmitri G. Fedorov, Yuko Okamoto, Stephan Irle. Implementation of replica-exchange umbrella sampling in GAMESS. Computer Physics Communications, 228:152-162, 2018. [doi]
Possibly Related PublicationsThe following publications are possibly variants of this publication: Implementation of replica-exchange umbrella sampling in the DFTB+ semiempirical quantum chemistry packageShingo Ito, Stephan Irle, Yuko Okamoto. cphysics, 204:1-10, 2016. [doi] ::::Ab Initio:::: prediction of protein-ligand binding structures by replica-exchange umbrella sampling simulationsHironori Kokubo, Toshimasa Tanaka, Yuko Okamoto. jcc, 32(13):2810-2821, 2011. [doi]
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