Combined docking and molecular dynamics (MD) simulations were carried out in order to investigate the binding mode of propidium at the human acetylcholinesterase (HuAChE) peripheral site. Two differen

NIAID Data Ecosystem60

Solution structure of the SARS-unique domain-C from the nonstructural protein 3 (nsp3) of the severe acute respiratory syndrome coronavirus

冠状病毒结构

溶液结构解析

Solution structure of the SARS-unique domain-C from the nonstructural protein 3 (nsp3) of the severe acute respiratory syndrome coronavirus

NIAID Data Ecosystem10

Pesticides in mol2 format, for docking

农药分子

分子对接

Structures ready for docking in mol2 format.Taken from UCSF ZINC12

DataCite Commons2025-04-01 更新60

Affinity and energy docking results.

分子对接

癌症靶向治疗

Objective We investigated the potential molecular mechanisms of Synechococcus sp. XM-24 affect gastric cancer (GC) development. Furthermore, this study aimed to provide a theoretical basis for develop

NIAID Data Ecosystem20