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Application

Discovery Studio 1.0 Materials Studio 0.8608549202021012 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06393653015984133 Amorphous Cell 0.26718002566795007 Blends 0.002333450005833625 CASTEP 0.3709018784272547 CDOCKER 0.18515925796289814 CHARMm 0.28911445572278616 COMPASS 0.34255046085637614 COMPASS III 0.08190409520476023 COSMObase 0.0038501925096254812 COSMOconf 0.0036168475090421186 COSMOmic 0.0 COSMOperm 0.001400070003500175 COSMOplex 2.333450005833625E-4 COSMOquick 0.0016334150040835376 COSMOtherm 0.06066970015167425 Cantera 0.0 Catalyst 0.1344067203360168 Classical Simulations 1.0 Conformers 7.000350017500875E-4 Crystallization 0.06743670516859177 DFTB Plus 0.0058336250145840625 DMol3 0.16649165791622914 DPD 0.002216777505541944 Discover 0.00280014000700035 Forcite 0.5145257262863143 GULP 0.022634465056586162 Kinetix 1.1667250029168125E-4 LUDI 0.00466690001166725 LibDock 0.07817057519542643 LigandFit 0.0058336250145840625 MCSS 5.833625014584063E-4 MODELER 0.21572745303931865 MesoDyn 0.0010500525026251313 Mesocite 0.0030334850075837126 Mesoscale 0.005950297514875744 Modules 0.0 Morphology 0.016217477540543694 ONETEP 9.3338000233345E-4 Polymorph 0.0019834325049585813 QMERA 0.0 QSAR 9.3338000233345E-4 Quantum Mechanics 0.5263096488157741 Reflex 0.048769105121922764 Reflex Plus 0.0010500525026251313 Semi-empirical 0.007233695018084237 Sorption 0.05401936763504842 Synthia 0.001400070003500175 TURBOMOLE 4.66690001166725E-4 VAMP 0.0011667250029168126 Visualization 0.9082954147707385 X-Cell 0.0015167425037918563 ZDOCK 0.03185159257962898

Year

2022 0.0 2023 0.31901611851299727 2024 0.5122519332898537 2025 1.0 2026 0.25780303736140875

Keywords

target 1.0 potential 0.2973724730541896 docking 0.24909352803854368 visualization 0.22455669795857547 analysis 0.20141061938111557 between 0.15005215318134407 novel 0.10703819599662245 binding 0.08538220831470719 energy 0.07450454477723141 promising 0.06466994486663687 activity 0.06372622063279193 cell 0.056275766155068796 interaction 0.037202602692097554 stability 0.03581185118958923 protein 0.0296528088213381 synthesized 0.028957433070083943 development 0.021904336164506034 experimental 0.021457308895842648 effective 0.01872547558734416 including 0.018576466497789698 mechanism 0.018328118015198926 performance 0.016092981671881983 synthesis 0.01579496349277306 vitro 4.470272686633885E-4 silico 0.0
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