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Application

Discovery Studio 1.0 Materials Studio 0.994597723326259 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06816035711219848 Amorphous Cell 0.2739290926259765 Blends 0.0028328611898017 CASTEP 0.404069018799897 CDOCKER 0.17297622113486136 CHARMm 0.259764786676968 COMPASS 0.3700746845222766 COMPASS III 0.07665894068160357 COSMObase 0.003090394025238218 COSMOconf 0.0036913039745900935 COSMOmic 2.575328354365182E-4 COSMOperm 0.0012876641771825909 COSMOplex 3.433771139153575E-4 COSMOquick 0.0017168855695767877 COSMOtherm 0.06258047901107391 Cantera 0.0 Catalyst 0.11683406300970041 Classical Simulations 1.0 Conformers 0.0010301313417460727 Crystallization 0.07571465361833633 DFTB Plus 0.00557987810112456 DMol3 0.18379260022319513 DPD 0.00274701691132286 Discover 0.00420636964546313 Forcite 0.5336080350244656 GULP 0.025409906429736458 Kinetix 2.575328354365182E-4 LUDI 0.005236500987209202 LibDock 0.07056399690960598 LigandFit 0.007382607949180187 MCSS 0.001115975620224912 MODELER 0.19538157781783844 MesoDyn 0.0012876641771825909 Mesocite 0.0036913039745900935 Mesoscale 0.00695338655678599 Modules 0.0 Morphology 0.017340544252725555 ONETEP 0.0014593527341402695 Polymorph 0.0018027298480556271 QMERA 1.7168855695767876E-4 QSAR 0.0012876641771825909 Quantum Mechanics 0.5759292643145334 Reflex 0.05605631384668212 Reflex Plus 7.725985063095545E-4 Semi-empirical 0.007296763670701348 Sorption 0.055369559618851406 Synthia 0.0012876641771825909 TURBOMOLE 5.150656708730364E-4 VAMP 0.00137350845566143 Visualization 0.8562966778264228 X-Cell 0.0012876641771825909 ZDOCK 0.030045497467593784

Year

2020 0.03943661971830986 2021 0.1324823943661972 2022 0.15308098591549296 2023 0.42561619718309857 2024 0.7970070422535211 2025 1.0 2026 0.3742077464788732 2027 0.0

Keywords

target 1.0 potential 0.2654522751478203 docking 0.21451393734621177 visualization 0.2073891806529803 analysis 0.18179147232729811 between 0.15299864115465128 novel 0.10026075140475228 energy 0.08377097947041758 binding 0.07029270263322193 cell 0.05857725219435161 activity 0.05196665320063168 promising 0.04987329685262037 interaction 0.03793749311395938 stability 0.029086635572367694 experimental 0.026883102574461054 synthesized 0.02673620037460061 performance 0.019023834881927357 effective 0.018876932682066912 mechanism 0.018803481582136693 protein 0.017958793932939147 development 0.016820301884020714 synthesis 0.011495097139079659 including 0.00954864299092879 design 8.446876491975467E-4 chemical 0.0
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