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Application

Discovery Studio 1.0 Materials Studio 0.014367816091954023 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.006122448979591836 Amorphous Cell 0.0010204081632653062 CASTEP 0.004081632653061225 CDOCKER 0.1306122448979592 CHARMm 0.35918367346938773 COMPASS 0.007142857142857143 COMPASS III 0.0010204081632653062 COSMOtherm 0.00816326530612245 Catalyst 0.15612244897959185 Classical Simulations 0.3826530612244898 DMol3 0.00816326530612245 Forcite 0.0163265306122449 Kinetix 0.0 LUDI 0.00816326530612245 LibDock 0.04387755102040816 LigandFit 0.009183673469387756 MCSS 0.0 MODELER 0.27755102040816326 Quantum Mechanics 0.012244897959183673 Sorption 0.0 Visualization 1.0 ZDOCK 0.015306122448979591

Year

2023 0.015940488841657812 2024 0.8289054197662061 2025 1.0 2026 0.0

Keywords

silico 1.0 target 0.958625525946704 docking 0.6669004207573632 potential 0.5638148667601683 visualization 0.4340813464235624 analysis 0.3653576437587658 vitro 0.3015427769985975 binding 0.2769985974754558 activity 0.19214586255259467 promising 0.12622720897615708 protein 0.10168302945301542 novel 0.09957924263674614 inhibition 0.09537166900420757 therapeutic 0.08555399719495091 drug 0.08134642356241234 compound 0.07363253856942496 synthesized 0.03506311360448808 including 0.033660589060308554 synthesis 0.03295932678821879 potent 0.02314165497896213 stability 0.021037868162692847 binding affinity 0.001402524544179523 strong 0.001402524544179523 treatment 0.001402524544179523 between 0.0
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