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Application

Discovery Studio 0.898989898989899 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07011795543905636 Amorphous Cell 0.22804718217562253 Blends 0.003931847968545216 CASTEP 0.5825688073394495 CDOCKER 0.17627785058977719 CHARMm 0.21952817824377457 COMPASS 0.38794233289646135 COMPASS III 0.007863695937090432 COSMObase 0.0 COSMOconf 6.55307994757536E-4 COSMOperm 0.0 COSMOquick 0.001310615989515072 COSMOtherm 0.07863695937090433 Catalyst 0.16841415465268678 Classical Simulations 0.9207077326343381 Conformers 0.001310615989515072 Crystallization 0.07404980340760157 DFTB Plus 0.005242463958060288 DMol3 0.29750982961992134 DPD 0.009174311926605505 Discover 0.01834862385321101 Forcite 0.44495412844036697 GULP 0.0399737876802097 LUDI 0.007863695937090432 LibDock 0.0779816513761468 LigandFit 0.005897771952817824 MCSS 0.001965923984272608 MODELER 0.08781127129750983 MesoDyn 0.001310615989515072 Mesocite 0.00851900393184797 Mesoscale 0.01507208387942333 Morphology 0.01703800786369594 ONETEP 0.005242463958060288 Polymorph 0.002621231979030144 QSAR 0.00327653997378768 Quantum Mechanics 0.8689384010484927 Reflex 0.053735255570117955 Reflex Plus 6.55307994757536E-4 Semi-empirical 0.011140235910878113 Sorption 0.04128440366972477 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.005242463958060288 Visualization 1.0 X-Cell 0.0 ZDOCK 0.04062909567496723

Year

2022 0.0

Keywords

target 1.0 visualization 0.22438204943604512 docking 0.17950563954883608 potential 0.16006719462443006 between 0.15766738660907129 analysis 0.10967122630189585 energy 0.08999280057595392 novel 0.06959443244540436 activity 0.056155507559395246 experimental 0.054475641948644106 binding 0.05255579553635709 interaction 0.0503959683225342 cell 0.0367170626349892 synthesis 0.02687784977201824 synthesized 0.02327813774898008 well 0.023038156947444204 chemical 0.022318214542836574 mechanism 0.02183825293976482 protein 0.016078713702903768 surface 0.008639308855291577 design 0.005999520038396928 higher 0.004799616030717543 promising 0.0028797696184305254 compound 0.0 stability 0.0
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