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Application

Discovery Studio 1.0 Materials Studio 0.9188531447258347 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06518753301637613 Amorphous Cell 0.27416798732171155 Blends 0.0024300052826201797 CASTEP 0.3826730058108822 CDOCKER 0.179080824088748 CHARMm 0.27543581616481777 COMPASS 0.35467511885895403 COMPASS III 0.08188061278394083 COSMObase 0.003486529318541997 COSMOconf 0.004331748547279451 COSMOmic 1.0565240359218173E-4 COSMOperm 0.001584786053882726 COSMOplex 3.169572107765452E-4 COSMOquick 0.0014791336502905442 COSMOtherm 0.06455361859482303 Cantera 0.0 Catalyst 0.1347068145800317 Classical Simulations 1.0 Conformers 7.395668251452721E-4 Crystallization 0.07194928684627576 DFTB Plus 0.00612783940834654 DMol3 0.17200211304807184 DPD 0.003169572107765452 Discover 0.003803486529318542 Forcite 0.5219228737453777 GULP 0.024194400422609615 Kinetix 2.1130480718436345E-4 LUDI 0.004754358161648178 LibDock 0.07585842577918647 LigandFit 0.006022187004754358 MCSS 7.395668251452721E-4 MODELER 0.1958795562599049 MesoDyn 0.0013734812466983624 Mesocite 0.003803486529318542 Mesoscale 0.007290015847860539 Modules 0.0 Morphology 0.01711568938193344 ONETEP 0.001162176439513999 Polymorph 0.002007395668251453 QMERA 1.0565240359218173E-4 QSAR 0.001162176439513999 Quantum Mechanics 0.5437929212889593 Reflex 0.05229793977812995 Reflex Plus 8.452192287374538E-4 Semi-empirical 0.008029582673005811 Sorption 0.05430533544638141 Synthia 0.0016904384574749076 TURBOMOLE 5.282620179609086E-4 VAMP 0.001584786053882726 Visualization 0.879027997886952 X-Cell 0.0013734812466983624 ZDOCK 0.03127311146328579

Year

2021 0.0029635117614373032 2022 0.13817373587701426 2023 0.35775143545100946 2024 0.6838303389516577 2025 1.0 2026 0.32385626967957026 2027 0.0

Keywords

target 1.0 potential 0.2687170324995746 docking 0.22073336736430152 visualization 0.20248426067721625 analysis 0.17904543134252168 between 0.14263229538880381 novel 0.09979581419091373 binding 0.07465543644716692 energy 0.0738472009528671 cell 0.05632125233962906 activity 0.055427939424876636 promising 0.053556236174919176 interaction 0.03586013272077591 synthesized 0.0315211842776927 stability 0.030074868129998298 protein 0.025225455164199422 experimental 0.02441721966989961 development 0.020503658329079463 effective 0.018249106687085247 synthesis 0.017100561510974988 mechanism 0.01676025182916454 performance 0.016675174408711926 including 0.015143780840564914 design 0.0018291645397311553 compound 0.0
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