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Application

Discovery Studio 0.7548489666136725 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06937234544596507 Amorphous Cell 0.2897593204341671 Blends 0.0023596035865974517 CASTEP 0.5049551675318547 CDOCKER 0.145351580934403 CHARMm 0.22227465785747993 COMPASS 0.4285040113260972 COMPASS III 0.05049551675318546 COSMObase 0.001415762151958471 COSMOconf 9.438414346389807E-4 COSMOperm 9.438414346389807E-4 COSMOplex 0.0 COSMOquick 9.438414346389807E-4 COSMOtherm 0.06701274185936762 Cantera 0.0 Catalyst 0.09957527135441246 Classical Simulations 1.0 Conformers 4.7192071731949034E-4 Crystallization 0.08636149126946673 DFTB Plus 0.010382255781028787 DMol3 0.2298253893345918 DPD 0.004719207173194903 Discover 0.005191127890514393 Forcite 0.5394053798961774 GULP 0.03680981595092025 LUDI 9.438414346389807E-4 LibDock 0.05946201038225578 LigandFit 0.004247286455875413 MODELER 0.2095327984898537 MesoDyn 0.0033034450212364322 Mesocite 0.005663048607833884 Mesoscale 0.011326097215667769 Morphology 0.019348749410099102 ONETEP 0.0 Polymorph 0.0023596035865974517 QMERA 0.0 QSAR 0.0023596035865974517 Quantum Mechanics 0.7196790939122227 Reflex 0.06465313827277018 Semi-empirical 0.01368570080226522 Sorption 0.045776309579990564 Synthia 0.002831524303916942 TURBOMOLE 4.7192071731949034E-4 VAMP 0.0023596035865974517 Visualization 0.6847569608305805 X-Cell 4.7192071731949034E-4 ZDOCK 0.021236432279377066

Year

2024 0.0

Keywords

target 1.0 potential 0.25466084886949625 between 0.17731059103530344 analysis 0.17552558508528363 docking 0.16878222927409758 visualization 0.13566045220150733 energy 0.09797699325664419 novel 0.0914319714399048 cell 0.05751685838952796 experimental 0.04879016263387544 activity 0.04383181277270924 interaction 0.0436334787782626 promising 0.04204680682268941 binding 0.039071796905989685 stability 0.028560095200317333 synthesized 0.02479174930583102 mechanism 0.02360174533915113 effective 0.020031733439111465 development 0.01408171360571202 chemical 0.013288377627925426 well 0.01190003966679889 performance 0.008925029750099168 synthesis 0.005950019833399445 including 0.004561681872272907 protein 0.0
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