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MOGWIP conformers
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创建时间：
2018-03-25
相关数据集
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7c
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7c Descriptor: Cereblon isoform 4, PHOSPHATE ION, ZINC ION, ... Authors: Heim, C, Hartmann, M.D. Deposit date: 2019-03
Protein Data Bank Japan2024-01-24 更新90
DataSheet2_Assessing the effect of forcefield parameter sets on the accuracy of relative binding free energy calculations.xlsx
Software for accurate prediction of protein-ligand binding affinity can be a key enabling tool for small molecule drug discovery. Free energy perturbation (FEP) is a computational technique that can b
NIAID Data Ecosystem60
Ramachandran Plots
Ramachandran plots are available for native, relaxed and refined versions of the models.
Figshare2024-05-29 更新30
Polymorphism in Fuchsones
Seven 2,6-disubstituted fuchsones (fuchsone = 4-(α,α-diphenylmethylene)-1,4-benzoquinone, R = H, Me, i-Pr, t-Bu, Ph, Cl, Br) were synthesized and crystallized from different solvents to find new polym
NIAID Data Ecosystem70
Structures and Rotational Barriers of a Diiodobinorsnoutane: Energetic Preference for Gauche Conformation
The diiodobinorsnoutane, bi(5-iodopentacyclo[4.3.0.02,4.03,8.05,7]non-4-yl) (5), exists in a sterically hindered gauche conformation rather than an anti or an averaged (freely rotating) C2v structu
NIAID Data Ecosystem60
