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Application

Discovery Studio 1.0 Materials Studio 0.6800774526678142 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06664113366526235 Amorphous Cell 0.22060513213328226 Blends 0.003063960168517809 CASTEP 0.4009957870547683 CDOCKER 0.22098812715434699 CHARMm 0.35197242435848336 COMPASS 0.3420145538108005 COMPASS III 0.03446955189582535 COSMObase 0.0 COSMOconf 0.0 COSMOmic 3.8299502106472615E-4 COSMOperm 0.0011489850631941786 COSMOplex 0.0 COSMOquick 0.0011489850631941786 COSMOtherm 0.04940635771734968 Catalyst 0.14094216775181923 Classical Simulations 0.9754883186518575 Conformers 0.0015319800842589046 Crystallization 0.07238605898123325 DFTB Plus 0.0038299502106472617 DMol3 0.19379548065875143 DPD 0.003063960168517809 Discover 0.00497893527384144 Forcite 0.446189199540406 GULP 0.02987361164304864 Kinetix 0.0 LUDI 0.0034469551895825352 LibDock 0.09230180007659901 LigandFit 0.0068939103791650705 MCSS 0.0011489850631941786 MODELER 0.33626962849482955 MesoDyn 0.002297970126388357 Mesocite 0.004212945231711987 Mesoscale 0.008808885484488702 Morphology 0.013787820758330141 ONETEP 0.0015319800842589046 Polymorph 7.659900421294523E-4 QMERA 0.0 QSAR 0.0011489850631941786 Quantum Mechanics 0.5829184220605133 Reflex 0.057066258138644195 Semi-empirical 0.0065109153581003444 Sorption 0.04404442742244351 Synthia 3.8299502106472615E-4 TURBOMOLE 3.8299502106472615E-4 VAMP 0.0019149751053236309 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03715051704327844

Year

2024 0.0

Keywords

target 1.0 potential 0.30205105503910284 docking 0.27371993507451675 visualization 0.21159805223550243 analysis 0.19890807141803157 between 0.1401800206581083 novel 0.1049136786188579 binding 0.0903054448871182 activity 0.07127047366091191 promising 0.040873542865574736 interaction 0.039988195366681425 protein 0.03910284786778811 energy 0.03792238453593035 cell 0.02228124538881511 synthesized 0.018887413309724068 synthesis 0.01667404456249078 effective 0.013427770399881954 stability 0.012689980817470857 mechanism 0.011361959569130884 development 0.007230337907628745 vitro 0.005459642909842113 including 0.003098716246126605 silico 7.377895824110963E-4 compound 0.0 experimental 0.0
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