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Application

Discovery Studio 1.0 Materials Studio 0.7493883257602237 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05519317611640743 Amorphous Cell 0.2503763171098846 Blends 0.0030105368790767687 CASTEP 0.27345709984947314 CDOCKER 0.19869543401906672 CHARMm 0.32814851981936777 COMPASS 0.3125940792774711 COMPASS III 0.10035122930255895 COSMObase 0.0035122930255895636 COSMOconf 0.005017561465127948 COSMOmic 0.0 COSMOperm 0.0010035122930255895 COSMOquick 0.0 COSMOtherm 0.057200200702458605 Catalyst 0.09081786251881585 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06623181133968892 DFTB Plus 0.0010035122930255895 DMol3 0.11791269443050677 DPD 0.002007024586051179 Discover 0.004515805318615153 Forcite 0.4811841445057702 GULP 0.01154039136979428 Kinetix 0.0 LUDI 0.004515805318615153 LibDock 0.08329152032112393 LigandFit 0.0035122930255895636 MODELER 0.29202207727044655 Mesocite 0.0030105368790767687 Mesoscale 0.004515805318615153 Morphology 0.013547415955845458 ONETEP 0.0010035122930255895 Polymorph 0.002007024586051179 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.38585047666833916 Reflex 0.04917210235825389 Reflex Plus 0.0 Semi-empirical 0.002007024586051179 Sorption 0.051680883090817864 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7832413447064727 X-Cell 0.0010035122930255895 ZDOCK 0.03612644254892122

Year

2024 0.16164280331574982 2025 1.0 2026 0.8474001507159006 2027 0.0

Keywords

target 1.0 potential 0.3455125061304561 docking 0.28102010789602744 analysis 0.23933300637567434 visualization 0.19225110348209906 between 0.12383521333987249 novel 0.10593428151054439 binding 0.1049534085335949 promising 0.10053948013732222 activity 0.06620892594409024 cell 0.05125061304561059 stability 0.03800882785679255 strong 0.03555664541441883 energy 0.03285924472780775 therapeutic 0.029916625796959292 including 0.02893575282000981 development 0.01937224129475233 effective 0.015203531142717018 synthesized 0.013241785188818049 protein 0.012506130456105935 performance 0.009318293281020108 mechanism 0.006866110838646395 enhanced 0.005885237861696911 interaction 0.0014713094654242277 synthesis 0.0
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