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Application

Discovery Studio 1.0 Materials Studio 0.9778808419550482 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06020654801142606 Amorphous Cell 0.2799384750604263 Blends 0.002197319270490002 CASTEP 0.3210283454185893 CDOCKER 0.17051197539002416 CHARMm 0.27554383651944625 COMPASS 0.3348714568226763 COMPASS III 0.1054713249835201 COSMObase 0.005053834322127005 COSMOconf 0.005713030103274006 COSMOmic 0.0 COSMOperm 4.3946385409800046E-4 COSMOplex 2.1973192704900023E-4 COSMOquick 0.0013183915622940012 COSMOtherm 0.06526038233355307 Catalyst 0.07844429795649308 Classical Simulations 1.0 Conformers 4.3946385409800046E-4 Crystallization 0.07229180399912107 DFTB Plus 0.002856515051637003 DMol3 0.15205449351790815 DPD 0.0024170511975390024 Discover 0.004394638540980004 Forcite 0.5201054713249835 GULP 0.01823774994506702 Kinetix 2.1973192704900023E-4 LUDI 0.004174906613931004 LibDock 0.07185234014502308 LigandFit 0.004174906613931004 MCSS 4.3946385409800046E-4 MODELER 0.25554823115798725 MesoDyn 4.3946385409800046E-4 Mesocite 0.0030762469786860033 Mesoscale 0.005713030103274006 Modules 0.0 Morphology 0.016260162601626018 ONETEP 8.789277081960009E-4 Polymorph 0.001977587343441002 QMERA 2.1973192704900023E-4 QSAR 6.591957811470006E-4 Quantum Mechanics 0.4636343660733905 Reflex 0.05273566249176005 Reflex Plus 6.591957811470006E-4 Semi-empirical 0.004394638540980004 Sorption 0.055152713689299054 Synthia 8.789277081960009E-4 TURBOMOLE 0.0 VAMP 8.789277081960009E-4 Visualization 0.7088551966600747 X-Cell 0.0017578554163920018 ZDOCK 0.02966381015161503

Year

2024 0.41767795689186743 2025 1.0 2026 0.7536678138018474 2027 0.0

Keywords

target 1.0 potential 0.31152614727854855 docking 0.2249733191035219 analysis 0.22123799359658486 visualization 0.16659551760939167 between 0.14514407684098185 novel 0.0951974386339381 promising 0.08655282817502669 binding 0.07459978655282817 energy 0.07171824973319103 cell 0.06200640341515475 activity 0.048025613660619 stability 0.03948772678762007 performance 0.03564567769477055 including 0.022411953041622197 effective 0.015581643543223053 synthesized 0.014514407684098186 development 0.013874066168623266 strong 0.012913553895410886 mechanism 0.011953041622198506 experimental 0.009498399146211313 enhanced 0.00864461045891142 interaction 0.007150480256136607 protein 0.0020277481323372464 design 0.0
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