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Application

Discovery Studio 1.0 Materials Studio 0.6452892561983471 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08797953964194373 Amorphous Cell 0.11713554987212277 Blends 0.001534526854219949 CASTEP 0.2746803069053708 CDOCKER 0.19744245524296675 CHARMm 0.2578005115089514 COMPASS 0.24143222506393863 COMPASS III 0.03938618925831202 COSMObase 0.0 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 5.115089514066496E-4 COSMOquick 0.0 COSMOtherm 0.022506393861892585 Catalyst 0.23273657289002558 Classical Simulations 0.7611253196930946 Conformers 0.0010230179028132991 Crystallization 0.10383631713554987 DFTB Plus 0.001534526854219949 DMol3 0.1289002557544757 DPD 0.001534526854219949 Discover 0.0010230179028132991 Forcite 0.348849104859335 GULP 0.011253196930946292 LUDI 0.005115089514066497 LibDock 0.06035805626598466 LigandFit 0.0035805626598465474 MCSS 0.0025575447570332483 MODELER 0.11202046035805627 MesoDyn 5.115089514066496E-4 Mesocite 0.0010230179028132991 Mesoscale 0.0035805626598465474 Morphology 0.01381074168797954 Polymorph 0.0 QSAR 0.0010230179028132991 Quantum Mechanics 0.39948849104859335 Reflex 0.08951406649616368 Reflex Plus 0.001534526854219949 Semi-empirical 0.0020460358056265983 Sorption 0.03580562659846547 Synthia 5.115089514066496E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 1.0 X-Cell 0.0025575447570332483 ZDOCK 0.006138107416879796

Year

2019 0.0018927444794952682 2020 0.12492113564668769 2021 0.16340694006309148 2022 0.20504731861198738 2023 0.5362776025236593 2024 0.852365930599369 2025 1.0 2026 0.3350157728706625 2027 0.0

Keywords

synthesized 1.0 target 0.9565619223659889 synthesis 0.36437153419593343 docking 0.36414048059149723 novel 0.27587800369685767 visualization 0.2705637707948244 potential 0.2696395563770795 compound 0.1876155268022181 analysis 0.14764325323475047 activity 0.14209796672828096 promising 0.10397412199630314 binding 0.09634935304990758 between 0.0743992606284658 design 0.069547134935305 vitro 0.06792975970425139 potent 0.06608133086876156 designed 0.06377079482439926 inhibition 0.05268022181146026 experimental 0.019177449168207024 silico 0.015249537892791128 cell 0.014787430683918669 effective 0.014787430683918669 active 0.012245841035120148 drug 0.0023105360443622922 development 0.0
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