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Application

Discovery Studio 1.0 Materials Studio 0.971067482712026 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0655581444609193 Amorphous Cell 0.27684812539716164 Blends 0.002435924592247405 CASTEP 0.381910612158441 CDOCKER 0.17517475111205252 CHARMm 0.26699851726329166 COMPASS 0.3591400127091718 COMPASS III 0.0819741580173692 COSMObase 0.0032832027112899807 COSMOconf 0.003918661300571912 COSMOmic 3.177292946409659E-4 COSMOperm 9.531878839228976E-4 COSMOplex 2.1181952976064393E-4 COSMOquick 0.0015886464732048295 COSMOtherm 0.0617453929252277 Cantera 0.0 Catalyst 0.11660665113323448 Classical Simulations 1.0 Conformers 0.0010590976488032196 Crystallization 0.07434865494598603 DFTB Plus 0.004765939419614488 DMol3 0.17231518746028385 DPD 0.002647744122008049 Discover 0.004130480830332557 Forcite 0.5298665536962508 GULP 0.0226646896843889 Kinetix 2.1181952976064393E-4 LUDI 0.00540139800889642 LibDock 0.07042999364541411 LigandFit 0.0065664054225799615 MCSS 9.531878839228976E-4 MODELER 0.2097013344630375 MesoDyn 0.0011650074136835417 Mesocite 0.0037068417708112688 Mesoscale 0.006778224952340606 Modules 0.0 Morphology 0.016945562380851514 ONETEP 0.0010590976488032196 Polymorph 0.0019063757678457953 QMERA 2.1181952976064393E-4 QSAR 9.531878839228976E-4 Quantum Mechanics 0.5432111840711714 Reflex 0.05486125820800678 Reflex Plus 6.354585892819318E-4 Semi-empirical 0.006672315187460284 Sorption 0.05560262656216903 Synthia 7.413683541622537E-4 TURBOMOLE 5.295488244016098E-4 VAMP 0.0014827367083245075 Visualization 0.8342512179622962 X-Cell 0.0012709171785638637 ZDOCK 0.029337004871849183

Year

2021 0.07913229453101131 2022 0.1734392504328343 2023 0.2360729198492718 2024 0.7822588858335879 2025 1.0 2026 0.4327324574803951 2027 0.0

Keywords

target 1.0 potential 0.2814555826470994 docking 0.2239499470948153 visualization 0.20495008510834062 analysis 0.19533514284399872 between 0.15259695450154115 novel 0.10341813497722777 energy 0.08418825044854396 binding 0.07636748401343332 cell 0.06307218107374522 promising 0.05874775728021346 activity 0.05658554538344758 stability 0.03675760224502001 interaction 0.03648157519436905 synthesized 0.029580898928094953 performance 0.027372682522887243 experimental 0.02691263743846897 mechanism 0.02249620462805355 effective 0.02194415052675162 protein 0.020011961172194875 development 0.018723834935823712 including 0.017941758292312645 synthesis 0.01513548327736118 design 0.004370428301973594 chemical 0.0
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