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Application

Discovery Studio 1.0 Materials Studio 0.45535336436732965 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04344453064391001 Amorphous Cell 0.16795965865011636 Blends 0.0011636927851047323 CASTEP 0.26493405740884407 CDOCKER 0.22459270752521335 CHARMm 0.35880527540729246 COMPASS 0.2575640031031808 COMPASS III 0.02948021722265322 COSMObase 0.0011636927851047323 COSMOconf 7.757951900698216E-4 COSMOperm 7.757951900698216E-4 COSMOplex 0.0 COSMOquick 3.878975950349108E-4 COSMOtherm 0.03646237393328161 Catalyst 0.1439100077579519 Classical Simulations 0.8196276183087665 Conformers 0.0 Crystallization 0.05120248254460822 DFTB Plus 0.005430566330488751 DMol3 0.12373933281613654 DPD 0.0027152831652443757 Discover 0.0034910783553141972 Forcite 0.3138091543832428 GULP 0.022885958107059737 LUDI 0.003878975950349108 LibDock 0.09619860356865788 LigandFit 0.0065942591155934835 MCSS 0.0011636927851047323 MODELER 0.3413498836307215 MesoDyn 0.0023273855702094647 Mesocite 0.003878975950349108 Mesoscale 0.007370054305663305 Morphology 0.011249030256012413 ONETEP 0.0 Polymorph 0.0015515903801396431 QMERA 0.0 QSAR 7.757951900698216E-4 Quantum Mechanics 0.3813033359193173 Reflex 0.03840186190845617 Semi-empirical 0.007370054305663305 Sorption 0.027152831652443754 Synthia 0.001939487975174554 TURBOMOLE 0.0 VAMP 0.0011636927851047323 Visualization 1.0 X-Cell 3.878975950349108E-4 ZDOCK 0.038789759503491075

Year

2024 0.0

Keywords

target 1.0 docking 0.3311831607536921 potential 0.32761840095060263 visualization 0.2505516890171448 analysis 0.21846885078933967 between 0.12493634357494483 binding 0.11237480903072483 novel 0.10762179595993888 activity 0.08708198947547106 protein 0.05992191478526566 promising 0.04057036156849431 interaction 0.036666100831777286 vitro 0.01850280088270243 silico 0.017993549482261076 synthesis 0.015786793413681888 synthesized 0.012561534544219996 cell 0.00814802240706162 compound 0.006959769139365133 drug 0.00679001867255135 development 0.005262264471227296 stability 0.00407401120353081 energy 6.790018672551349E-4 including 3.3950093362756747E-4 mechanism 3.3950093362756747E-4 effective 0.0
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