CCDC GOLD 5.3 Linux.7z

简介：
CCDC GOLD 5.3 Linux.7z 是一款用于网络安全竞赛和教育目的的操作系统压缩文件，基于Linux发行版，内含模拟真实网络环境所需的各种工具和服务。 CCDC GOLD Suite 5.3 for Linux is a molecular modeling and docking simulation software, which includes the installation package, authorization file, and patches. GOLD has achieved success in virtual screening, lead optimization, and identifying the correct binding mode of active molecules. It is comprehensively validated and widely used to make confident predictions about binding modes and achieve high database enrichments. GOLD reliably identifies the correct binding mode for a large range of test cases and has been shown to perform favorably against other docking tools in numerous independent studies. GOLD offers extensive configurability, allowing users to leverage their knowledge of protein-ligand systems to maximize docking performance. It enables complete user control over speed versus accuracy settings, from efficient virtual screening of large compound libraries to highly accurate exhaustive sampling for lead optimization. With a wide range of scoring functions and customizable docking protocols available, GOLD provides consistently high performance across various receptor types. GOLD accounts for receptor flexibility through side-chain flexibility and ensemble docking, which is particularly important. Ensemble docking with GOLD addresses the challenge of model selection without resorting to computationally expensive sequential docking of ligands into multiple protein structures. A variety of constraints can be applied to ensure that key hydrogen bond interactions are fulfilled or to bias results toward a known binding motif. Unfavorable ligand conformations can also be eliminated by utilizing customizable torsion angle distributions and an extensive library of ring conformations extracted from the Cambridge Structural Database.