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Application

Discovery Studio 1.0 Materials Studio 0.7104440275171983 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.09503135552339605 Amorphous Cell 0.12445730824891461 Blends 0.001447178002894356 CASTEP 0.3217559093101785 CDOCKER 0.2098408104196816 CHARMm 0.2522913651712494 COMPASS 0.25277375783888084 COMPASS III 0.04148576941630487 COSMObase 0.0 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 4.82392667631452E-4 COSMOquick 4.82392667631452E-4 COSMOtherm 0.02363724071394115 Catalyst 0.2392667631452002 Classical Simulations 0.7891944042450555 Conformers 9.64785335262904E-4 Crystallization 0.11239749155812831 DFTB Plus 0.001929570670525808 DMol3 0.13941148094548964 DPD 0.001929570670525808 Discover 4.82392667631452E-4 Forcite 0.37723106608779544 GULP 0.011095031355523395 LUDI 0.006271104679208876 LibDock 0.06174626145682586 LigandFit 0.003859141341051616 MCSS 0.003376748673420164 MODELER 0.11480945489628558 MesoDyn 0.0 Mesocite 0.001929570670525808 Mesoscale 0.004341534008683068 Morphology 0.013506994693680656 Polymorph 0.0 QSAR 0.001447178002894356 Quantum Mechanics 0.4548962855764592 Reflex 0.09696092619392185 Reflex Plus 0.001447178002894356 Semi-empirical 0.004341534008683068 Sorption 0.03859141341051616 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.001929570670525808 Visualization 1.0 X-Cell 0.00241196333815726 ZDOCK 0.00482392667631452

Year

2019 0.08610086100861009 2020 0.14575645756457564 2021 0.16543665436654367 2022 0.23862238622386223 2023 0.6186961869618696 2024 0.8714637146371463 2025 1.0 2026 0.32656826568265684 2027 0.0

Keywords

synthesized 1.0 target 0.9599244649601343 synthesis 0.3503986571548468 docking 0.3447335291649182 novel 0.2614351657574486 potential 0.2599664288711708 visualization 0.2551405791019723 compound 0.17645824590851866 analysis 0.14498531263113723 activity 0.13575325220310533 promising 0.09693663449433487 binding 0.0946286193873269 between 0.07574485942089802 design 0.06966009232060429 vitro 0.061686949223667645 designed 0.061477129668485106 potent 0.05371380612673101 inhibition 0.05014687368862778 experimental 0.0209819555182543 cell 0.018464120856063786 active 0.01594628619387327 effective 0.011330255979857323 silico 0.006714225765841376 energy 0.00209819555182543 drug 0.0
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