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Application

Discovery Studio 1.0 Materials Studio 0.9902780478320047 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06491885143570537 Amorphous Cell 0.2791510611735331 Blends 0.002372034956304619 CASTEP 0.3627965043695381 CDOCKER 0.16978776529338327 CHARMm 0.2664169787765293 COMPASS 0.352059925093633 COMPASS III 0.08714107365792759 COSMObase 0.003620474406991261 COSMOconf 0.0044943820224719105 COSMOmic 0.0 COSMOperm 7.49063670411985E-4 COSMOplex 1.2484394506866417E-4 COSMOquick 0.0012484394506866417 COSMOtherm 0.06142322097378277 Cantera 0.0 Catalyst 0.11248439450686641 Classical Simulations 1.0 Conformers 8.739076154806492E-4 Crystallization 0.0735330836454432 DFTB Plus 0.004619225967540574 DMol3 0.1630461922596754 DPD 0.0026217228464419477 Discover 0.0033707865168539327 Forcite 0.5299625468164794 GULP 0.02122347066167291 Kinetix 2.4968789013732833E-4 LUDI 0.004993757802746567 LibDock 0.07091136079900125 LigandFit 0.005368289637952559 MCSS 7.49063670411985E-4 MODELER 0.21061173533083646 MesoDyn 8.739076154806492E-4 Mesocite 0.003745318352059925 Mesoscale 0.006616729088639201 Modules 0.0 Morphology 0.017228464419475654 ONETEP 0.0011235955056179776 Polymorph 0.0017478152309612985 QMERA 1.2484394506866417E-4 QSAR 7.49063670411985E-4 Quantum Mechanics 0.5168539325842697 Reflex 0.05368289637952559 Reflex Plus 7.49063670411985E-4 Semi-empirical 0.006367041198501872 Sorption 0.05568039950062422 Synthia 8.739076154806492E-4 TURBOMOLE 6.242197253433209E-4 VAMP 0.0013732833957553058 Visualization 0.7905118601747815 X-Cell 0.0013732833957553058 ZDOCK 0.029088639200998752

Year

2022 0.0696140957734299 2023 0.22689438979569776 2024 0.6170143768241271 2025 1.0 2026 0.4591936006918171 2027 0.0

Keywords

target 1.0 potential 0.2896168732821002 docking 0.2251640769619117 analysis 0.2026140124530207 visualization 0.19560217647388792 between 0.1512312783979357 novel 0.10186795310484097 energy 0.08318842205643126 binding 0.07634487014079766 promising 0.06630392101867953 cell 0.06445279632018848 activity 0.05413137375890503 stability 0.03982722836147417 performance 0.032927581758007515 interaction 0.031413025186514835 synthesized 0.02765468110169967 experimental 0.02535479890054412 effective 0.022718348572390194 mechanism 0.021989117630560388 including 0.021035507937398328 development 0.018903909799741964 protein 0.018903909799741964 synthesis 0.010938464127447131 design 0.003758344084815168 enhanced 0.0
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