换一批
第一作者：
Amara,Jabeen
第一单位：
Department of Molecular Sciences, Macquarie University, Sydney, NSW 2109, Australia.
作者：
关键词
APF, Atomic property fieldAmber, Assisted model Building with Energy RefinementAtomic property fieldBinding free energy calculationCSF, Cerebrospinal fluidECL, Extracellular loopGPCR, G protein coupled receptorHCMV, Human cytomegalovirusHMDB, Human metabolome databaseHydrophobicity correspondenceLBVS, Ligand based virtual screeningLC, Lung carcinoidsMD, Molecular dynamicsMMGBSA, Molecular mechanics generalized born surface areaMMPBSA, Molecular mechanics Poisson–Boltzmann surface areaMolecular dynamicsNAFLD, Non-alcoholic fatty liver diseaseNASH, Nonalcoholic steatohepatitisOR, olfactory receptorOR1A2Olfactory receptorPMEMD, Particle-Mesh Ewald Molecular DynamicsPOPC, 1-palmitoyl-2-oleoyl-sn-glycero- 3-phosphatidylcholineRMSD, Root mean square deviationRMSF, Root mean square fluctuationSBVS, Structure based virtual screeningSSD, Sum of squared differenceTM, TransmembraneVirtual ligand screening
DOI
10.1016/j.crstbi.2020.10.001
PMID
34235481
发布时间
2021-07-09
- 浏览0
Current research in structural biology
2020年2卷
213-221页
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