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Application

Discovery Studio 1.0 Materials Studio 0.657323055360897 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08649225840896957 Amorphous Cell 0.1195942338494394 Blends 5.339028296849973E-4 CASTEP 0.28350240256273357 CDOCKER 0.1799252536038441 CHARMm 0.24666310731446878 COMPASS 0.23438334223171384 COMPASS III 0.041110517885744796 COSMObase 0.0 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 5.339028296849973E-4 COSMOquick 0.0 COSMOtherm 0.02189001601708489 Catalyst 0.24559530165509877 Classical Simulations 0.7421249332621462 Conformers 0.0010678056593699946 Crystallization 0.10411105178857448 DFTB Plus 0.002135611318739989 DMol3 0.12760277629471437 DPD 5.339028296849973E-4 Forcite 0.3465029364655633 GULP 0.011211959423384944 LUDI 0.004805125467164976 LibDock 0.057127602776294716 LigandFit 0.0026695141484249867 MCSS 5.339028296849973E-4 MODELER 0.0982381206620395 MesoDyn 0.0 Mesocite 5.339028296849973E-4 Mesoscale 0.002135611318739989 Morphology 0.012813667912439935 Polymorph 0.0 QSAR 5.339028296849973E-4 Quantum Mechanics 0.40630005339028297 Reflex 0.08969567538707955 Reflex Plus 0.0010678056593699946 Semi-empirical 0.0026695141484249867 Sorption 0.034703683929524824 Synthia 5.339028296849973E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 1.0 X-Cell 0.0026695141484249867 ZDOCK 0.0037373198077949813

Year

2021 0.08682266009852217 2022 0.20135467980295566 2023 0.5024630541871922 2024 0.8688423645320197 2025 1.0 2026 0.32697044334975367 2027 0.0

Keywords

synthesized 1.0 target 0.9549659201557936 docking 0.36733203505355405 synthesis 0.36197663096397276 potential 0.27872444011684516 visualization 0.2736124634858812 novel 0.2672833495618306 compound 0.1837877312560857 analysis 0.15895813047711782 activity 0.13704965920155793 promising 0.10223953261927946 binding 0.10126582278481013 between 0.07205452775073028 vitro 0.06669912366114898 design 0.06499513145082765 potent 0.05647517039922103 designed 0.05598831548198637 inhibition 0.05306718597857838 experimental 0.021421616358325218 silico 0.019961051606621226 effective 0.019474196689386564 cell 0.014605647517039922 active 0.010467380720545278 drug 2.4342745861733204E-4 energy 0.0
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