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Application

Discovery Studio 1.0 Materials Studio 0.858862473668372 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07184035476718403 Amorphous Cell 0.21685144124168515 Blends 0.003547671840354767 CASTEP 0.4376940133037694 CDOCKER 0.1973392461197339 CHARMm 0.24567627494456762 COMPASS 0.35388026607538803 COMPASS III 0.011086474501108648 COSMObase 4.434589800443459E-4 COSMOconf 4.434589800443459E-4 COSMOmic 0.0 COSMOperm 8.869179600886918E-4 COSMOplex 0.0 COSMOquick 4.434589800443459E-4 COSMOtherm 0.07006651884700665 Catalyst 0.16496674057649668 Classical Simulations 0.8878048780487805 Conformers 4.434589800443459E-4 Crystallization 0.07583148558758315 DFTB Plus 0.007095343680709534 DMol3 0.21862527716186253 DPD 0.0066518847006651885 Discover 0.01818181818181818 Forcite 0.40931263858093125 GULP 0.03148558758314856 LUDI 0.008425720620842573 LibDock 0.07982261640798226 LigandFit 0.009312638580931265 MCSS 0.0026607538802660754 MODELER 0.1015521064301552 MesoDyn 0.0026607538802660754 Mesocite 0.007982261640798226 Mesoscale 0.014634146341463415 Morphology 0.020399113082039913 ONETEP 8.869179600886918E-4 Polymorph 0.0026607538802660754 QMERA 4.434589800443459E-4 QSAR 0.003547671840354767 Quantum Mechanics 0.6447893569844789 Reflex 0.05277161862527716 Reflex Plus 0.0013303769401330377 Semi-empirical 0.011529933481152993 Sorption 0.03503325942350333 Synthia 0.0 TURBOMOLE 8.869179600886918E-4 VAMP 0.0031042128603104213 Visualization 1.0 X-Cell 0.0 ZDOCK 0.039467849223946784

Year

2022 0.0

Keywords

target 1.0 visualization 0.24960394296778737 docking 0.21827143108607638 potential 0.18253828551311388 between 0.14786129202605175 analysis 0.12180954057384263 novel 0.07956345713782785 binding 0.07023411371237458 energy 0.06231297306812181 activity 0.06037669424397113 interaction 0.05386375638091885 experimental 0.045414539693715894 cell 0.041189931350114416 synthesized 0.032916740010561524 protein 0.03080443583876078 synthesis 0.025875726104559058 well 0.02534765006160887 mechanism 0.020066889632107024 chemical 0.017954585460306285 drug 0.006160887167752156 compound 0.005984861820102095 design 0.004752684386551663 higher 0.0028164055624009857 promising 0.002288329519450801 vitro 0.0
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