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Application

Discovery Studio 0.9909882847702013 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07672073651907059 Amorphous Cell 0.23498465585269618 Blends 0.00394563787812363 CASTEP 0.528277071459886 CDOCKER 0.19508987286277948 CHARMm 0.24287593160894344 COMPASS 0.387987724682157 COMPASS III 0.012275317843051293 COSMObase 4.3840420868040335E-4 COSMOconf 4.3840420868040335E-4 COSMOmic 0.0 COSMOperm 0.00131521262604121 COSMOplex 0.0 COSMOquick 4.3840420868040335E-4 COSMOtherm 0.0797895659798334 Catalyst 0.16308636562911005 Classical Simulations 0.9513371328364753 Conformers 8.768084173608067E-4 Crystallization 0.08417360806663744 DFTB Plus 0.00789127575624726 DMol3 0.2569048662867163 DPD 0.008768084173608066 Discover 0.01972818939061815 Forcite 0.4458570802279702 GULP 0.04077159140727751 LUDI 0.008329679964927663 LibDock 0.0789127575624726 LigandFit 0.00920648838228847 MCSS 0.00263042525208242 MODELER 0.10039456378781236 MesoDyn 0.00263042525208242 Mesocite 0.009644892590968873 Mesoscale 0.017536168347216132 Morphology 0.021481806225339763 ONETEP 0.0035072336694432268 Polymorph 0.0035072336694432268 QMERA 4.3840420868040335E-4 QSAR 0.00394563787812363 Quantum Mechanics 0.7724682156948707 Reflex 0.05918456817185445 Reflex Plus 0.00131521262604121 Semi-empirical 0.013590530469092503 Sorption 0.04164839982463832 Synthia 4.3840420868040335E-4 TURBOMOLE 0.00131521262604121 VAMP 0.004384042086804033 Visualization 1.0 X-Cell 0.0 ZDOCK 0.039017974572555895

Year

2022 0.0

Keywords

target 1.0 visualization 0.22784396931614168 docking 0.19520156683531908 potential 0.17447364125999673 between 0.15292965562265382 analysis 0.1197976171046189 energy 0.07997388607801534 novel 0.07507752570589195 binding 0.059409172515097114 experimental 0.0541863881181655 activity 0.05288069201893259 interaction 0.05206463195691203 cell 0.03982373102660356 synthesized 0.0314999183939938 well 0.029051738207932103 chemical 0.024318589848212828 protein 0.021380773624938794 synthesis 0.020727925575322343 mechanism 0.01991186551330178 design 0.00718132854578097 surface 0.0068549045209727434 higher 0.005059572384527501 promising 0.0037538762852945976 compound 0.001958544148849355 stability 0.0
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