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Application

Discovery Studio 0.9026936026936027 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06535400083787181 Amorphous Cell 0.29660661918726433 Blends 0.0025136154168412233 CASTEP 0.3418516966904064 CDOCKER 0.15249266862170088 CHARMm 0.25513196480938416 COMPASS 0.3452031839128613 COMPASS III 0.1051529116045245 COSMObase 0.004608294930875576 COSMOconf 0.005865102639296188 COSMOperm 4.1893590280687055E-4 COSMOquick 0.0012568077084206116 COSMOtherm 0.0640971931294512 Catalyst 0.07038123167155426 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06996229576874738 DFTB Plus 4.1893590280687055E-4 DMol3 0.15374947633012148 DPD 0.0016757436112274822 Discover 0.005865102639296188 Forcite 0.5370758273984081 GULP 0.018014243820695434 LUDI 0.004608294930875576 LibDock 0.06493506493506493 LigandFit 0.003770423125261835 MCSS 8.378718056137411E-4 MODELER 0.23376623376623376 MesoDyn 8.378718056137411E-4 Mesocite 0.002932551319648094 Mesoscale 0.005446166736489317 Morphology 0.015500628403854211 ONETEP 0.0 Polymorph 0.0012568077084206116 QMERA 0.0 QSAR 8.378718056137411E-4 Quantum Mechanics 0.48428990364474234 Reflex 0.05236698785085882 Reflex Plus 0.0 Semi-empirical 0.0025136154168412233 Sorption 0.05152911604524508 Synthia 4.1893590280687055E-4 TURBOMOLE 0.0 VAMP 0.0012568077084206116 Visualization 0.6577293674067868 X-Cell 0.0020946795140343527 ZDOCK 0.028068705488060328

Year

2024 0.35199463627220917 2025 1.0 2026 0.7036540395574925 2027 0.0

Keywords

target 1.0 potential 0.2997100248550124 analysis 0.2127174813587407 docking 0.2091963545981773 visualization 0.15430820215410107 between 0.15327257663628832 novel 0.09569179784589893 promising 0.08885666942833471 energy 0.08409279204639603 binding 0.07539353769676885 cell 0.07290803645401822 performance 0.04908864954432477 stability 0.04536039768019884 activity 0.04515327257663629 including 0.026512013256006627 strong 0.025269262634631317 enhanced 0.023612261806130904 experimental 0.023612261806130904 mechanism 0.017812758906379452 effective 0.01739850869925435 development 0.0171913835956918 synthesized 0.012220381110190555 design 0.01056338028169014 interaction 0.009942004971002486 strategy 0.0
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