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Application

Discovery Studio 1.0 Materials Studio 0.649546827794562 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.051960321209258385 Amorphous Cell 0.23901747756258857 Blends 0.001889466225791214 CASTEP 0.25507794048181387 CDOCKER 0.22342938119981107 CHARMm 0.3585262163438829 COMPASS 0.28956069910250354 COMPASS III 0.10628247520075579 COSMObase 0.004723665564478035 COSMOconf 0.007085498346717053 COSMOmic 0.0 COSMOperm 9.44733112895607E-4 COSMOplex 4.723665564478035E-4 COSMOtherm 0.06235238545111006 Catalyst 0.09683514407179972 Classical Simulations 1.0 Conformers 4.723665564478035E-4 Crystallization 0.0675484175720359 DFTB Plus 0.0033065658951346244 DMol3 0.11667453944260746 DPD 0.0014170996693434106 Discover 0.0023618327822390174 Forcite 0.456778460085026 GULP 0.01228153046764289 Kinetix 0.0 LUDI 0.0051960321209258385 LibDock 0.0930562116202173 LigandFit 0.004251299008030231 MODELER 0.3254605573925366 Mesocite 0.002834199338686821 Mesoscale 0.003778932451582428 Morphology 0.015588096362777516 ONETEP 9.44733112895607E-4 Polymorph 0.0023618327822390174 Quantum Mechanics 0.3675011809163911 Reflex 0.047709022201228156 Reflex Plus 0.0 Semi-empirical 0.004251299008030231 Sorption 0.05526688710439301 Synthia 9.44733112895607E-4 TURBOMOLE 0.0 VAMP 4.723665564478035E-4 Visualization 0.8308927727916864 X-Cell 9.44733112895607E-4 ZDOCK 0.03920642418516769

Year

2024 0.07629513343799058 2025 1.0 2026 0.7598116169544741 2027 0.0

Keywords

target 1.0 potential 0.32640831002796644 docking 0.2654814222932481 analysis 0.21793847383140233 visualization 0.179584498601678 binding 0.10447463044346784 between 0.10347582900519377 novel 0.09448661606072713 promising 0.09188973232121454 activity 0.0687175389532561 cell 0.03695565321614063 including 0.032361166600079906 stability 0.02936476228525769 strong 0.028565721134638435 therapeutic 0.027167399121054734 energy 0.02417099480623252 protein 0.02417099480623252 development 0.02037554934079105 effective 0.015381542149420694 synthesized 0.00998801438274071 mechanism 0.0059928086296444265 interaction 0.0037954454654414702 silico 0.0011985617259288853 inhibition 9.98801438274071E-4 synthesis 0.0
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