An approach combining molecular dynamics (MD) simulations and laboratory experiments was applied to provide new theoretical insights into the chemical structure of polyamide (PA) thin-film composite (

Figshare2020-05-15 更新00

PDB: 5MV4, citrullinated CII616-639 epitope of collagen type II (ptm23) (312K, 39°C, 100 ns): random seed #2

分子动力学模拟

胶原蛋白表位

citrullinated CII616-639 epitope of collagen type II (ptm23) (312K, 39°C, 100 ns): random seed #2. PDBs obtained every 50 ns.

NIAID Data Ecosystem00

Pub1-PRE experimental data.zip

蛋白质结构解析

分子动力学模拟

Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan

Figshare2016-04-21 更新10

PDB: 1OAY, Crystal structure of antibody SPE7, a monoclonal immunoglobulin E (IgE) raised against a 2,4-dinitrophenyl (DNP) hapten (313K, 40°C, 100 ns)

抗体相关结构解析

分子动力学模拟

PDB: 1OAY, Crystal structure of antibody SPE7, a monoclonal immunoglobulin E (IgE) raised against a 2,4-dinitrophenyl (DNP) hapten (313K, 40°C, 100 ns). Includes PDB files obtained every 50 ns.

NIAID Data Ecosystem00

PDB: 2Y5T, Autoantibody CIIC1 in complex with a triple-helical C1 peptide (310K, 37°C, 100 ns)

资源简介：

相关数据集