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Application

Discovery Studio 0.9314185228604924 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07305194805194805 Amorphous Cell 0.2740800865800866 Blends 0.002976190476190476 CASTEP 0.45021645021645024 CDOCKER 0.16125541125541126 CHARMm 0.25865800865800864 COMPASS 0.4034090909090909 COMPASS III 0.04707792207792208 COSMObase 0.0010822510822510823 COSMOconf 5.411255411255411E-4 COSMOmic 0.0 COSMOperm 0.0016233766233766235 COSMOplex 0.0 COSMOquick 0.0010822510822510823 COSMOtherm 0.06033549783549783 Cantera 0.0 Catalyst 0.10876623376623376 Classical Simulations 1.0 Conformers 0.0013528138528138528 Crystallization 0.08198051948051949 DFTB Plus 0.007846320346320346 DMol3 0.2077922077922078 DPD 0.0045995670995671 Discover 0.004058441558441558 Forcite 0.5227272727272727 GULP 0.035443722943722944 Kinetix 0.0 LUDI 0.0027056277056277055 LibDock 0.06872294372294373 LigandFit 0.00487012987012987 MCSS 8.116883116883117E-4 MODELER 0.24431818181818182 MesoDyn 0.0035173160173160175 Mesocite 0.005140692640692641 Mesoscale 0.011363636363636364 Morphology 0.017586580086580088 ONETEP 5.411255411255411E-4 Polymorph 0.0016233766233766235 QMERA 2.7056277056277056E-4 QSAR 0.0013528138528138528 Quantum Mechanics 0.6458333333333334 Reflex 0.06277056277056277 Semi-empirical 0.010822510822510822 Sorption 0.044372294372294376 Synthia 0.001893939393939394 TURBOMOLE 8.116883116883117E-4 VAMP 0.0021645021645021645 Visualization 0.7673160173160173 X-Cell 2.7056277056277056E-4 ZDOCK 0.027056277056277056

Year

2024 0.0

Keywords

target 1.0 potential 0.27644096250699496 docking 0.20447677672076106 analysis 0.1884722999440403 between 0.16687185226636822 visualization 0.1638500279798545 novel 0.09983212087297146 energy 0.08494683827644096 binding 0.06446558477895915 cell 0.051930609960828204 activity 0.04991606043648573 interaction 0.04834918858421936 promising 0.04476776720761052 experimental 0.034583100167879126 stability 0.03167319529938444 synthesized 0.02753217683268047 effective 0.027196418578623392 mechanism 0.02417459429210968 protein 0.018019026301063234 development 0.01600447677672076 including 0.015332960268606604 synthesis 0.014325685506435367 chemical 0.005931729155008394 well 0.0051482932288752095 higher 0.0
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