Protein-protein docking: overview and performance analysis. Meth. Mol. Biol. 413, 283-314.Wiehe K,Peterson M W,Pierce B,et al. Protein-protein docking : Overview and performance analysis [J]. Meth-ods in Molecular Biology. 2008,413 ; 283 - 314....
Protein-Protein Docking可以在Maestro界面右上角检索调出,当使用过一次之后,该模块就会保留,方便下次使用: Protein-Protein Docking界面主要需要设置三个部分:Mode确认你要提交的类型:标准的蛋白质-蛋白质、抗体研究或者蛋白质二聚体分析;具体的后续分析策略,大家可以自行实践发现!! Structures to Dock要求上传两个蛋白质...
Protein-docking is a molecular modeling problem which aims to predict, with computer science algorithms and techniques, the mutual orientation and position of two molecules forming a complex. From: Encyclopedia of Bioinformatics and Computational Biology, 2019 ...
(2007) Wiehe et al. Methods in Molecular Biology. Protein-protein docking is the computational prediction of protein complex structure given the individually solved component protein structures. It is an important means for understanding the physicochemi
11Protein-ProteinDockingThomasFunkhouserPrincetonUniversityCS597A,Fall2005IntroductionGoal:•Giventwoproteinstructures,predicthowth..
In this review, we provide an overview of protein–peptide docking methods and outline their capabilities, limitations, and applications in structure-based drug design. Key challenges are also briefly discussed, such as modeling of large-scale conformational changes upon binding, scoring of predicted ...
New benchmark metrics for protein-protein docking methods With the development of many computational methods that predict the structural models of protein-protein complexes, there is a pressing need to benchmark t... M Gao,J Skolnick - 《Proteins-structure Function & Bioinformatics》 被引量: 45发...
Zacharias M (2005) ATTRACT: protein-protein docking in CAPRI using a reduced protein model. Proteins: Struct Funct Bioinform 60(2):252–256 CASGoogle Scholar Ruiz Echartea ME, Chauvot de Beauchêne I, Ritchie DW (2019) EROS-DOCK: protein-protein docking using exhaustive branch-and-bound rotat...
In rounds 3-5 of CAPRI, the community-wide experiment on the comparative evaluation of protein-protein docking for structure prediction, we applied the 3D-Dock software package to predict the atomic structures of nine biophysical interactions. This approach starts with an initial grid-based shape co...
In structure-baseddrug design(SBDD), protein-ligandmolecular dockingplays a central role, where the prediction of complexes is important to identify potential active molecules. Inprotein-ligand docking, the ligand is considered flexible (within the upper limit of torsion or rotatable bonds) and the ...