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Application

Discovery Studio 1.0 Materials Studio 0.4496972519795063 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.053160318124738384 Amorphous Cell 0.12683131017161992 Blends 4.185851820845542E-4 CASTEP 0.31226454583507746 CDOCKER 0.22687316868982838 CHARMm 0.3758894935119297 COMPASS 0.19254918375889493 COMPASS III 0.05064880703223106 COSMObase 0.0033486814566764337 COSMOconf 0.0037672666387609877 COSMOperm 8.371703641691084E-4 COSMOquick 4.185851820845542E-4 COSMOtherm 0.05776475512766848 Catalyst 0.13227291753871914 Classical Simulations 0.77940560904144 Conformers 4.185851820845542E-4 Crystallization 0.03432398493093344 DFTB Plus 0.0016743407283382169 DMol3 0.12390121389702805 DPD 4.185851820845542E-4 Discover 0.0033486814566764337 Forcite 0.27208036835496024 GULP 0.015487651737128506 Kinetix 4.185851820845542E-4 LUDI 0.006278777731268313 LibDock 0.10046044370029301 LigandFit 0.0054416073670992045 MCSS 0.0 MODELER 0.31017161992465464 Mesocite 4.185851820845542E-4 Mesoscale 0.0012557555462536626 Morphology 0.00795311845960653 Polymorph 8.371703641691084E-4 QMERA 0.0 QSAR 8.371703641691084E-4 Quantum Mechanics 0.42737547090832984 Reflex 0.025115110925073254 Semi-empirical 0.0025115110925073253 Sorption 0.033486814566764334 TURBOMOLE 0.0 VAMP 0.0 Visualization 1.0 X-Cell 0.0012557555462536626 ZDOCK 0.03097530347425701

Year

2023 0.1481592337623466 2024 0.5890451960490871 2025 1.0 2026 0.25202035318766836 2027 0.0

Keywords

potential 1.0 target 0.9436516648371752 docking 0.371569703622393 analysis 0.2773508964507867 visualization 0.2233809001097695 binding 0.12952799121844127 promising 0.12532016099524332 novel 0.11562385656787413 between 0.0792169776802049 therapeutic 0.07372850347603366 activity 0.07043541895353092 protein 0.045371386754482254 stability 0.03823637028905964 including 0.03530918404683498 silico 0.03311379436516648 vitro 0.03128430296377607 development 0.015367727771679473 drug 0.012989388949871936 treatment 0.012623490669593854 strong 0.011342846688620564 compound 0.006952067325283571 inhibition 0.006952067325283571 effective 0.002561287961946579 interaction 0.0021953896816684962 energy 0.0
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