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Application

Discovery Studio 1.0 Materials Studio 0.7897831679529584 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05704697986577181 Amorphous Cell 0.15883668903803133 Blends 0.0039149888143176735 CASTEP 0.4658836689038031 CDOCKER 0.20749440715883669 CHARMm 0.24608501118568232 COMPASS 0.2785234899328859 COMPASS III 0.0011185682326621924 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 5.592841163310962E-4 COSMOplex 5.592841163310962E-4 COSMOquick 5.592841163310962E-4 COSMOtherm 0.06319910514541387 Catalyst 0.0743847874720358 Classical Simulations 0.7829977628635347 Conformers 0.0011185682326621924 Crystallization 0.056487695749440715 DFTB Plus 0.0050335570469798654 DMol3 0.2348993288590604 DPD 0.006711409395973154 Discover 0.013422818791946308 Forcite 0.29977628635346754 GULP 0.052572706935123045 LUDI 0.008948545861297539 LibDock 0.06767337807606263 LigandFit 0.016778523489932886 MCSS 0.0039149888143176735 MODELER 0.27237136465324385 MesoDyn 0.0044742729306487695 Mesocite 0.008948545861297539 Mesoscale 0.01621923937360179 Morphology 0.017897091722595078 ONETEP 0.002796420581655481 Polymorph 0.0022371364653243847 QMERA 0.0011185682326621924 QSAR 0.0022371364653243847 Quantum Mechanics 0.6823266219239373 Reflex 0.03523489932885906 Reflex Plus 0.002796420581655481 Semi-empirical 0.01174496644295302 Sorption 0.026286353467561523 Synthia 5.592841163310962E-4 TURBOMOLE 0.0 VAMP 0.0044742729306487695 Visualization 1.0 ZDOCK 0.03355704697986577

Year

2021 0.0

Keywords

target 1.0 visualization 0.25586642599277976 docking 0.21231949458483754 potential 0.19065884476534295 between 0.14959386281588447 analysis 0.13560469314079424 novel 0.08709386281588448 binding 0.07017148014440433 activity 0.06295126353790614 interaction 0.043772563176895304 experimental 0.0430956678700361 energy 0.04151624548736462 well 0.036326714801444046 protein 0.032490974729241874 synthesized 0.021209386281588447 cell 0.019855595667870037 drug 0.018727436823104692 chemical 0.01782490974729242 synthesis 0.012409747292418772 compound 0.011732851985559567 mechanism 0.00970216606498195 promising 0.006543321299638989 inhibition 0.002256317689530686 design 9.025270758122744E-4 development 0.0
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