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Application

Discovery Studio 1.0 Materials Studio 0.7167113494191242 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04953560371517028 Amorphous Cell 0.15833701901813357 Blends 0.0026536930561698365 CASTEP 0.39141972578505085 CDOCKER 0.1968155683325962 CHARMm 0.24502432551968156 COMPASS 0.2680229986731535 COMPASS III 0.005749668288367979 COSMObase 0.0 COSMOconf 8.845643520566122E-4 COSMOperm 4.422821760283061E-4 COSMOquick 8.845643520566122E-4 COSMOtherm 0.055285272003538256 Catalyst 0.16452896948252985 Classical Simulations 0.7319770013268465 Conformers 0.0013268465280849183 Crystallization 0.0513047324192835 DFTB Plus 0.003980539584254755 DMol3 0.19991154356479435 DPD 0.006191950464396285 Discover 0.01238390092879257 Forcite 0.31048208757187085 GULP 0.026536930561698365 LUDI 0.008403361344537815 LibDock 0.07961079168509509 LigandFit 0.009287925696594427 MCSS 0.0026536930561698365 MODELER 0.10128261831048209 MesoDyn 0.0013268465280849183 Mesocite 0.005749668288367979 Mesoscale 0.010614772224679346 Morphology 0.011499336576735958 ONETEP 0.0035382574082264487 Polymorph 0.0017691287041132243 QSAR 0.0026536930561698365 Quantum Mechanics 0.5833701901813357 Reflex 0.03759398496240601 Reflex Plus 4.422821760283061E-4 Semi-empirical 0.008403361344537815 Sorption 0.02830605926581159 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.003980539584254755 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03936311366651924

Year

2022 0.0

Keywords

target 1.0 visualization 0.2817445001929757 docking 0.24507912003087612 potential 0.1873793901968352 between 0.13624083365495948 analysis 0.12253956001543806 novel 0.08645310690852953 binding 0.08047086067155539 activity 0.07352373600926283 energy 0.053454264762639904 interaction 0.051138556541875727 protein 0.039945966808182166 synthesis 0.03299884214588962 experimental 0.03049015824006175 synthesized 0.02740254727904284 cell 0.02527981474334234 well 0.01775376302585874 drug 0.011385565418757236 compound 0.00984175993824778 mechanism 0.00868390582786569 chemical 0.008297954457738324 vitro 0.005789270551910459 silico 0.004052489386337322 promising 0.001350829795445774 design 0.0
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