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Application

Discovery Studio 1.0 Materials Studio 0.7401102853032846 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05901505901505902 Amorphous Cell 0.24786324786324787 Blends 0.002035002035002035 CASTEP 0.4208384208384208 CDOCKER 0.21164021164021163 CHARMm 0.33496133496133496 COMPASS 0.3658933658933659 COMPASS III 0.04314204314204314 COSMObase 0.001221001221001221 COSMOconf 8.14000814000814E-4 COSMOperm 8.14000814000814E-4 COSMOplex 0.0 COSMOquick 8.14000814000814E-4 COSMOtherm 0.05575905575905576 Cantera 0.0 Catalyst 0.13593813593813595 Classical Simulations 1.0 Conformers 4.07000407000407E-4 Crystallization 0.07407407407407407 DFTB Plus 0.008954008954008955 DMol3 0.1921041921041921 DPD 0.00407000407000407 Discover 0.004477004477004477 Forcite 0.46194546194546193 GULP 0.03093203093203093 LUDI 0.00407000407000407 LibDock 0.0936100936100936 LigandFit 0.005698005698005698 MCSS 0.001221001221001221 MODELER 0.3194953194953195 MesoDyn 0.002849002849002849 Mesocite 0.004884004884004884 Mesoscale 0.009768009768009768 Morphology 0.016687016687016686 ONETEP 0.0 Polymorph 0.002035002035002035 QMERA 0.0 QSAR 0.002035002035002035 Quantum Mechanics 0.6007326007326007 Reflex 0.055352055352055354 Semi-empirical 0.011803011803011803 Sorption 0.03947903947903948 Synthia 0.002442002442002442 TURBOMOLE 4.07000407000407E-4 VAMP 0.002035002035002035 Visualization 0.9576719576719577 X-Cell 4.07000407000407E-4 ZDOCK 0.037444037444037445

Year

2024 0.0

Keywords

target 1.0 potential 0.2960954446854664 docking 0.25828943290982337 analysis 0.2039045553145336 visualization 0.19956616052060738 between 0.14982956306166717 novel 0.10458630306786489 binding 0.08335915711186861 activity 0.06848466067555005 energy 0.04787728540440037 promising 0.0455531453362256 interaction 0.042764177254415864 protein 0.03718624109079641 cell 0.03408738766656337 stability 0.020607375271149676 synthesized 0.020142547257514718 synthesis 0.014874496436318562 experimental 0.013944840409048653 effective 0.013480012395413696 mechanism 0.013170127052990394 development 0.010536101642392316 including 0.006042764177254416 silico 0.004338394793926247 vitro 0.004028509451502944 compound 0.0
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