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Application

Discovery Studio 1.0 Materials Studio 0.7708383377372088 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.056730091613812546 Amorphous Cell 0.20648343904157856 Blends 0.004933051444679351 CASTEP 0.379492600422833 CDOCKER 0.17054263565891473 CHARMm 0.266384778012685 COMPASS 0.32910500352360816 COMPASS III 0.021846370683579985 COSMObase 3.5236081747709656E-4 COSMOconf 3.5236081747709656E-4 COSMOmic 0.0 COSMOperm 3.5236081747709656E-4 COSMOplex 3.5236081747709656E-4 COSMOquick 7.047216349541931E-4 COSMOtherm 0.056025369978858354 Catalyst 0.18851303735024666 Classical Simulations 0.8618745595489782 Conformers 0.004228329809725159 Crystallization 0.06694855532064835 DFTB Plus 0.005637773079633545 DMol3 0.1945031712473573 DPD 0.0028188865398167725 Discover 0.008456659619450317 Forcite 0.4186046511627907 GULP 0.029245947850599013 LUDI 0.0066948555320648345 LibDock 0.06976744186046512 LigandFit 0.007751937984496124 MCSS 3.5236081747709656E-4 MODELER 0.07470049330514447 MesoDyn 0.0017618040873854828 Mesocite 0.005285412262156448 Mesoscale 0.009513742071881607 Morphology 0.015503875968992248 ONETEP 0.0014094432699083862 Polymorph 0.0014094432699083862 QSAR 0.0010570824524312897 Quantum Mechanics 0.5595489781536294 Reflex 0.04933051444679352 Reflex Plus 3.5236081747709656E-4 Reflex QPA 0.0 Semi-empirical 0.008456659619450317 Sorption 0.03488372093023256 TURBOMOLE 3.5236081747709656E-4 VAMP 0.0024665257223396757 Visualization 1.0 X-Cell 0.0010570824524312897 ZDOCK 0.028188865398167725

Year

2023 0.0

Keywords

target 1.0 visualization 0.26821141905194607 docking 0.2597304255641375 potential 0.21611388762683628 analysis 0.14826593972436772 between 0.13206118431016206 novel 0.08496138119036802 binding 0.07663183401484173 activity 0.05770104497955475 energy 0.05391488717249735 interaction 0.05028017567772225 protein 0.04331364531273663 synthesized 0.031500832954717554 cell 0.03134938664243526 experimental 0.022111161593215207 compound 0.012872936543995154 synthesis 0.010904134484325307 drug 0.009541117673784643 mechanism 0.008480993487808572 chemical 0.005603513554444949 silico 0.005603513554444949 promising 0.003483265182492806 vitro 0.0031803725579282144 development 0.0 stability 0.0
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