Webbdrawn: shape complementarity should be combined with physicochemical complementarity to increase the accuracy of docking predictions. F2Dock [34] computes separately shape complementarity scores and elec-trostatics scores and combines them. This leads to an improvement of shape-only docking in 54% of the com-plexes of … Webb10 okt. 2002 · Molecular surface complementarity at protein-protein interfaces: The critical role played by surface normals at well placed, sparse points in docking. J. Mol. Biol., …
Shape complementarity of protein–protein complexes at multiple ...
WebbMolecular docking plays a prominent role in the initial prediction of Figure 1: A simulation approach shown in docked adducts. Here the ligand and target are separated by some physical distance and interact by means of mostly H-bond. Figure 2: A shape complementarity approach shown in docked adducts. Webb1 maj 2009 · Shape complementarity is quantified using a histogram of the shortest distances between two proteins' surface mesh vertices for both the crystallographic … chronotherm iii humidifier manual
Docking (molecular) - Wikipedia
Webb6 juli 2024 · As the most basic ingredient of scoring functions, shape complementarity plays a critical role in protein-protein docking. In this study, we have presented a new pairwise scoring function to... WebbIt is argued that simplicity in the docking process, utilizing geometrical shape criteria may capture many of the essential features in protein‐protein docking, and hence in docking. Here we carry out an examination of shape complementarity as a criterion in protein‐protein docking and binding. Specifically, we examine the quality of shape … Webb15 aug. 1999 · Here we carry out an examination of shape complementarity as a criterion in protein-protein docking and binding. Specifically, we examine the quality of shape … chronotherm iii wiring diagram