Archive of lincosamides containing sub-folders named after each compound and its net charge. Every compound's folder contains a total of 20 files distributed into three sub-directories reporting QM (Q

DataCite Commons2022-03-24 更新100

PDB - 6SF6: Crystal structure of the mAb 15A in complex with COMP-epitope P6 - (311K, 38°C, 100 ns): random seed #3 >> RMSD, SASA, RMSF, Rg, H-bonds

蛋白质结构

分子动力学

PDB - 6SF6: Crystal structure of the mAb 15A in complex with COMP-epitope P6 - (311K, 38°C, 100 ns): random seed #3 >> RMSD, SASA, RMSF, Rg, H-bonds

DataCite Commons2024-10-24 更新90

I. A computer program for generation of a complete set of coordinates and force matrices for normal mode calculations of crystals and molecules

计算化学

分子动力学

Title of program: FYCOOR Catalogue Id: ACXQ_v1_0 Nature of problem In this paper a computer code, FYCOOR, is described for generation of a complete set of coordinates to be used in a normal mode

NIAID Data Ecosystem130

PDB - 2XWT: TSH receptor in complex with autoantibody K1-70 (310K, 37°C, 400 ns): random seed #3

分子动力学

蛋白质结构

PDB - 2XWT: TSH receptor in complex with autoantibody K1-70 (310K, 37°C, 400 ns): random seed #3

DataONE2025-11-25 更新100