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Application

Discovery Studio 0.8048706240487062 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.10190824198132359 Amorphous Cell 0.22289890377588306 Blends 0.004060089321965083 CASTEP 0.4185952090946001 CDOCKER 0.15062931384490458 CHARMm 0.2233049127080796 COMPASS 0.40682095006090135 COMPASS III 0.05684125050751117 COSMObase 0.004060089321965083 COSMOconf 0.004060089321965083 COSMOmic 4.060089321965083E-4 COSMOperm 0.0020300446609825416 COSMOplex 0.0 COSMOquick 0.0028420625253755584 COSMOtherm 0.13032886723507917 Catalyst 0.15631343889565572 Classical Simulations 1.0 Conformers 0.0016240357287860333 Crystallization 0.08363784003248072 DFTB Plus 0.014616321559074299 DMol3 0.2383272431993504 DPD 0.004060089321965083 Discover 0.010556232237109216 Forcite 0.5217214778725132 GULP 0.03451075923670321 Kinetix 0.0 LUDI 0.011368250101502234 LibDock 0.060495330897279743 LigandFit 0.013398294762484775 MCSS 0.0032480714575720666 MODELER 0.16443361753958588 MesoDyn 4.060089321965083E-4 Mesocite 0.004060089321965083 Mesoscale 0.006902151847340642 Morphology 0.011368250101502234 ONETEP 0.0020300446609825416 Polymorph 0.004060089321965083 QMERA 0.0 QSAR 0.001218026796589525 Quantum Mechanics 0.6406820950060901 Reflex 0.06780349167681689 Reflex Plus 4.060089321965083E-4 Semi-empirical 0.022330491270807957 Sorption 0.0438489646772229 Synthia 0.0 TURBOMOLE 4.060089321965083E-4 VAMP 0.006902151847340642 Visualization 0.729192042224929 X-Cell 0.0 ZDOCK 0.013804303694681283

Year

2014 0.0 2015 0.03119376124775045 2016 0.060587882423515295 2017 0.06958608278344332 2018 0.0635872825434913 2019 0.07918416316736653 2020 0.09658068386322735 2021 0.2903419316136773 2022 0.5152969406118776 2023 0.6664667066586683 2024 1.0 2025 0.8920215956808638 2026 0.3737252549490102

Keywords

chemical 1.0 target 0.9561625358286967 potential 0.20974540549654358 between 0.16270443432810655 docking 0.15309391333670544 analysis 0.15191367391670882 visualization 0.14146012476816724 experimental 0.09441915359973023 energy 0.08733771707975047 novel 0.07991906929691452 binding 0.025122239082785366 including 0.023773394031360646 interaction 0.019726858877086494 synthesized 0.019726858877086494 activity 0.0163547462485247 well 0.013657056145675266 performance 0.012308211094250548 promising 0.0069128308885516776 effective 0.004720957679986511 adsorption 0.004046535154274153 development 0.003372112628561794 synthesis 0.0030349013657056147 surface 0.001686056314280897 stability 8.430281571404484E-4 cell 0.0
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