Molecular Docking server helps you setup ligand & protein for molecular modeling & ligand docking using high-throughput virtual screening. It uses Autodock & Mopac for docking calculations.
Molecular Docking server helps you setup ligand & protein for molecular modeling & ligand docking using high-throughput virtual screening. It uses Autodock & Mopac for docking calculations.
In this chapter, we describe ClusPro, a web server for protein–protein and protein–peptide docking. As an input, the server requires two Protein Data Bank (PDB) files (protein–protein mode) or a PDB file for the protein and a sequence for the ligand (protein–peptide mode). Its ...
Protein-ligand docking is a computational method for identifying drug leads. The method is capable of narrowing a vast library of compounds down to a tractable size for downstream simulation or experimental testing and is widely used in drug discovery. While there has been progress in accelerating ...
With input information for receptor and ligand molecules (either amino acid sequences or Protein Data Bank structures), the server automatically predicts their interaction through a hybrid algorithm of template-based and template-free docking. The HDOCK server distinguishes itself from similar docking ...
Protein-Protein Docking:蛋白质-蛋白质对接 热度: Scoring functions for of protein-ligand docking New routes towards 热度: Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening ...
Protein–ligand blind docking is a widely used method for studying the binding sites and poses of ligands and receptors in pharmaceutical and biological research. Recently, our new blind docking server named CB-Dock2 has been released and is currently being utilized by researchers worldwide. CB-Do...
CB-Dock:awebserverforcavitydetection-guided protein–ligandblinddocking YangLiu 1 ,MaximilianGrimm 1 ,Wen-taoDai 2 ,Mu-chunHou 1 ,Zhi-XiongXiao 1 andYangCao 1 Asthenumberofelucidatedproteinstructuresisrapidlyincreasing,thegrowingdatacallformethodstoefficientlyexploitthe ...
内容提示: ARTICLECB-Dock: a web server for cavity detection-guidedprotein–ligand blind dockingYang Liu 1 , Maximilian Grimm 1 , Wen-tao Dai 2 , Mu-chun Hou 1 , Zhi-Xiong Xiao 1 and Yang Cao 1As the number of elucidated protein structures is rapidly increasing, the growing data call ...
CB-Dock: a web server for cavity detection-guided protein–ligand blind docking Abstract As the number of elucidated protein structures is rapidly increasing, the growing data call for methods to efficiently exploit the structural information for biological and pharmaceutical purposes. Given the three-...