The CircleIn app, in partnership with The University of New Orleans, provides an all-in-one studying application that equips students with tools for academic success, all while earning points that can turn into awesome rewards! Within CircleIn, you can communicate with your classmates, share helpful resources, create flashcards, stay organized. Dock has the ability to support DisplayPort™ 1.4 and HDMI™ 2.0 for max 2 x 4K @ 60 Hz displays, but the real video output would depend on the system’s output. Tech Specs Description. CDock is an application designed to make theming your dock easy and robust on macOS versions 10.10+ Info. Website; cDock requires macOS 10.10+. CDock 2 is the successor to the application cDock. It is designed to make theming your dock easy and robust on OS X versions 10.9 to 10.11.
Accurate binding mode prediction:
CovDock is built upon a foundation of the time-tested Glide docking algorithm and Prime structure refinement methodology for accurate prediction of non-covalently docked poses. Glide quickly samples a large pool of initial poses for the pre-reactive species and Prime simultaneously optimizes the ligand pose and attachment residue to produce a sound physical chemistry. The resultant accuracy outperforms other docking programs in achieving lower RMS deviations from native co-crystallized structures.
Complete workflow:
CovDock performs a series of automated steps based on a simple setup from the Maestro graphical interface or from the command line. First, CovDock docks the pre-reactive ligand to determine viable poses that bring the reactive group into close proximity with the reactive receptor residue. Then the covalent bond is formed for the top scoring complex structures, the covalently attached ligand is sampled, and the complexes are scored using all-atom molecular mechanics with the OPLS force field and VSGB2.0 implicit solvent model.
Intuitive graphical interface:
Schrödinger’s intuitive graphical user interface, Maestro, provides easy-to-use panels for straightforward set-up of experiments, easy visualization, and efficient analysis of CovDock results.
Citations and Acknowledgements
ö Zhu, K.; Borrelli, K.W.; Greenwood, J.R.; Day, T.; Abel, R.; Farid, R.S.; Harder, E., 'Docking covalent inhibitors: A parameter free approach to pose prediction and scoring,' J. Chem. Inf. Model., 2014, 54, 1932−1940
Cdock 2
Accurate binding mode prediction:
CovDock is built upon a foundation of the time-tested Glide docking algorithm and Prime structure refinement methodology for accurate prediction of non-covalently docked poses. Glide quickly samples a large pool of initial poses for the pre-reactive species and Prime simultaneously optimizes the ligand pose and attachment residue to produce a sound physical chemistry. The resultant accuracy outperforms other docking programs in achieving lower RMS deviations from native co-crystallized structures.
Complete workflow:
CovDock performs a series of automated steps based on a simple setup from the Maestro graphical interface or from the command line. First, CovDock docks the pre-reactive ligand to determine viable poses that bring the reactive group into close proximity with the reactive receptor residue. Then the covalent bond is formed for the top scoring complex structures, the covalently attached ligand is sampled, and the complexes are scored using all-atom molecular mechanics with the OPLS force field and VSGB2.0 implicit solvent model.
Dock 231 Menu
Intuitive graphical interface:
Schrödinger’s intuitive graphical user interface, Maestro, provides easy-to-use panels for straightforward set-up of experiments, easy visualization, and efficient analysis of CovDock results.
Citations and Acknowledgements
ö Zhu, K.; Borrelli, K.W.; Greenwood, J.R.; Day, T.; Abel, R.; Farid, R.S.; Harder, E., 'Docking covalent inhibitors: A parameter free approach to pose prediction and scoring,' J. Chem. Inf. Model., 2014, 54, 1932−1940