The reference and test sets required to build GP potentials of the CO 2 -CO 2 , CO 2 -Ne, CO-Ne, HF-Ne and HF-Na + interactions via sequential design. The final va
Scoparone (6, 7 dimethylesculetin) is a biologically active compound derived from the herb Artemisia capillaris having anti-inflammatory, anti-lipemic, and anti-allergic roles. Activation of the const
Crystal structure of horse TLR9 in complex with two DNAs (CpG DNA and TCGCAC DNA) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deo
CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH BOSUTINIB Descriptor: 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-c
3G04, Crystal structure of TSH receptor in complex with human mAb autoantibody M22 (311K, 38°C, 200 ns): random seed #2. Contains PDBs obtained every 50 ns and free binding energy calculations.
