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Application

Discovery Studio 0.9890274314214463 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0587708830548926 Amorphous Cell 0.28490453460620524 Blends 0.002088305489260143 CASTEP 0.3189140811455847 CDOCKER 0.16378281622911695 CHARMm 0.2687947494033413 COMPASS 0.33920047732696895 COMPASS III 0.10799522673031026 COSMObase 0.005071599045346062 COSMOconf 0.007458233890214797 COSMOmic 0.0 COSMOperm 5.966587112171838E-4 COSMOplex 2.983293556085919E-4 COSMOquick 8.949880668257757E-4 COSMOtherm 0.06801909307875895 Catalyst 0.07607398568019093 Classical Simulations 1.0 Conformers 2.983293556085919E-4 Crystallization 0.07130071599045346 DFTB Plus 0.002386634844868735 DMol3 0.14558472553699284 DPD 0.0011933174224343676 Discover 0.004474940334128878 Forcite 0.5247613365155132 GULP 0.017601431980906922 Kinetix 0.0 LUDI 0.004176610978520286 LibDock 0.07070405727923627 LigandFit 0.0038782816229116944 MCSS 2.983293556085919E-4 MODELER 0.2535799522673031 MesoDyn 5.966587112171838E-4 Mesocite 0.0032816229116945108 Mesoscale 0.005071599045346062 Morphology 0.016706443914081145 ONETEP 5.966587112171838E-4 Polymorph 0.0017899761336515514 QMERA 0.0 QSAR 5.966587112171838E-4 Quantum Mechanics 0.45584725536992843 Reflex 0.05190930787589499 Reflex Plus 0.0 Semi-empirical 0.0038782816229116944 Sorption 0.056384248210023864 Synthia 8.949880668257757E-4 TURBOMOLE 0.0 VAMP 8.949880668257757E-4 Visualization 0.6760143198090692 X-Cell 0.0011933174224343676 ZDOCK 0.03013126491646778

Year

2024 0.2376521116678597 2025 1.0 2026 0.8286805058458602 2027 0.0

Keywords

target 1.0 potential 0.3117057856181791 docking 0.21901629541037523 analysis 0.2133353266557034 visualization 0.1545821497981761 between 0.1397817312004784 novel 0.0929884885633129 promising 0.08880251158618628 binding 0.07280609956645238 energy 0.07131110778890716 cell 0.06069666616833608 activity 0.04260726566003887 stability 0.03931828374943938 performance 0.03647779937210345 including 0.022723875018687396 strong 0.01958439228584243 development 0.014501420242188668 effective 0.012258932575870832 enhanced 0.011062939153834654 mechanism 0.00956794737628943 synthesized 0.006278965465689939 experimental 0.004933472865899237 strategy 8.969950665271341E-4 design 1.4949917775452235E-4 interaction 0.0
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