Author: Glantz-Gashai, Yitav; Meirson, Tomer; Reuveni, Eli; Samson, Abraham O
Title: Virtual screening for potential inhibitors of Mcl-1 conformations sampled by normal modes, molecular dynamics, and nuclear magnetic resonance Document date: 2017_6_19
ID: 47srfqzl_9
Snippet: For conformational sampling, we used model 1 of the NMR structure of PDB ID 2MHS 28 as a starting structure. Usually, NMR structures consist of an average structure and a number of ensemble structures. The NMR ensemble structures are numbered model 1, model 2, model 3, etc. As no average structure was available, we decided to use model 1 of PDB ID 2MHS as a starting structure......
Document: For conformational sampling, we used model 1 of the NMR structure of PDB ID 2MHS 28 as a starting structure. Usually, NMR structures consist of an average structure and a number of ensemble structures. The NMR ensemble structures are numbered model 1, model 2, model 3, etc. As no average structure was available, we decided to use model 1 of PDB ID 2MHS as a starting structure.
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