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Application

Discovery Studio 1.0 Materials Studio 0.5366583541147132 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.040482342807924204 Amorphous Cell 0.2239448751076658 Blends 8.613264427217916E-4 CASTEP 0.2058570198105082 CDOCKER 0.24289405684754523 CHARMm 0.38242894056847543 COMPASS 0.27993109388458226 COMPASS III 0.09991386735572783 COSMObase 0.002583979328165375 COSMOconf 0.01119724375538329 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 8.613264427217916E-4 COSMOtherm 0.06632213608957795 Catalyst 0.11283376399655469 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06804478897502153 DFTB Plus 0.002583979328165375 DMol3 0.09732988802756244 DPD 0.0017226528854435831 Discover 0.002583979328165375 Forcite 0.4392764857881137 GULP 0.008613264427217916 Kinetix 0.0 LUDI 0.002583979328165375 LibDock 0.09732988802756244 LigandFit 0.0034453057708871662 MODELER 0.36089577950043067 Mesocite 0.0034453057708871662 Mesoscale 0.00516795865633075 Morphology 0.01808785529715762 ONETEP 0.0017226528854435831 Polymorph 8.613264427217916E-4 Quantum Mechanics 0.3031869078380706 Reflex 0.04565030146425495 Semi-empirical 0.002583979328165375 Sorption 0.05426356589147287 Synthia 0.0017226528854435831 TURBOMOLE 0.0 Visualization 0.9224806201550387 X-Cell 0.0 ZDOCK 0.04220499569336779

Year

2024 0.0 2025 1.0 2026 0.5914546327412386 2027 0.0043206913106096975

Keywords

target 1.0 potential 0.3336890786197083 docking 0.2952685876912131 analysis 0.2248310209889719 visualization 0.20135183208822482 binding 0.11348274635361082 novel 0.10601209533973675 promising 0.09462824617573817 between 0.08502312344361437 activity 0.08431163287086446 therapeutic 0.050515830665243684 including 0.03628601921024546 stability 0.032017075773746 cell 0.02632515119174671 development 0.022411953041622197 strong 0.019565990750622556 protein 0.018854500177872643 synthesized 0.007470651013874066 mechanism 0.006047669868374244 silico 0.004624688722874422 effective 0.0035574528637495554 inhibition 0.0021344717182497333 vitro 0.0021344717182497333 energy 7.11490572749911E-4 interaction 0.0
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