Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12c at 1.9A resolution Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypro

Protein Data Bank Japan2024-10-23 更新30

BindingDB Entry 50044884: Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists I.

药物设计

受体结合

Small molecule binding data for protein G protein-coupled receptor 44, Uniprot Q9Y5Y4

Mendeley Data2024-03-27 更新30

mat_public_data_promiscuous_DBS4_sort.csv

药物设计

多药性

Datastet called DBS4 from the study "High Impact: The Role of Promiscuous Binding Site in Polypharmacology". The 7.267 pockets are named according to the ligand (HET code from the Protein Data Bank),

DataCite Commons2020-08-27 更新50

Supplement 1. R code containing the algorithms described in this paper, as applied to the constant, known food scenario.

贝叶斯统计

计算生物学

File List deb_mcmc.R (MD5: 24027cecfc5fc9158b906a8a1d96613f) - R code implementing the MCMC itself deb_model.R (MD5: 67486b9d95fe61db1ddb4add2f89a614) - R code specifying the differential equation

DataCite Commons2020-09-03 更新30

Structural insights into drug transport by an aquaglyceroporin

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