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Application

Discovery Studio 1.0 Materials Studio 0.6838817159516868 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.057799875699192045 Amorphous Cell 0.17712865133623368 Blends 0.0018645121193287756 CASTEP 0.3511497824735861 CDOCKER 0.20447482908638906 CHARMm 0.25108763206960844 COMPASS 0.2921068986948415 COMPASS III 0.010565568676196395 COSMObase 6.215040397762585E-4 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 0.001243008079552517 COSMOquick 6.215040397762585E-4 COSMOtherm 0.06339341205717837 Catalyst 0.16407706650093226 Classical Simulations 0.7737725295214419 Conformers 6.215040397762585E-4 Crystallization 0.06463642013673089 DFTB Plus 0.006836544437538844 DMol3 0.18085767557489124 DPD 0.002486016159105034 Discover 0.015537600994406464 Forcite 0.3281541330018645 GULP 0.02175264139216905 LUDI 0.006836544437538844 LibDock 0.08514605344934742 LigandFit 0.009944064636420136 MCSS 0.0018645121193287756 MODELER 0.08328154133001865 MesoDyn 0.0018645121193287756 Mesocite 0.005593536357986327 Mesoscale 0.010565568676196395 Morphology 0.01740211311373524 ONETEP 6.215040397762585E-4 Polymorph 0.0018645121193287756 QMERA 0.0 QSAR 0.003107520198881293 Quantum Mechanics 0.5233064014916097 Reflex 0.045369794903666875 Reflex Plus 0.0018645121193287756 Semi-empirical 0.010565568676196395 Sorption 0.02983219390926041 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.002486016159105034 Visualization 1.0 X-Cell 0.0 ZDOCK 0.04226227470478558

Year

2022 0.0

Keywords

target 1.0 visualization 0.2824570815450644 docking 0.24570815450643776 potential 0.19930257510729613 analysis 0.13626609442060086 between 0.13197424892703863 novel 0.08798283261802575 binding 0.07939914163090128 activity 0.07081545064377683 interaction 0.05257510729613734 energy 0.04265021459227468 cell 0.04238197424892704 experimental 0.04184549356223176 protein 0.039967811158798286 synthesis 0.0305793991416309 synthesized 0.028969957081545063 well 0.02601931330472103 mechanism 0.017167381974248927 drug 0.01528969957081545 compound 0.012875536480686695 vitro 0.012070815450643776 chemical 0.007242489270386266 silico 0.00509656652360515 inhibition 0.004828326180257511 treatment 0.0
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