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Application

Discovery Studio 1.0 Materials Studio 0.6470403022670025 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08368996671421779 Amorphous Cell 0.11840228245363767 Blends 4.7551117451260106E-4 CASTEP 0.2691393247741322 CDOCKER 0.178792201616738 CHARMm 0.23680456490727533 COMPASS 0.23728007608178792 COMPASS III 0.04136947218259629 COSMObase 0.0 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 4.7551117451260106E-4 COSMOquick 4.7551117451260106E-4 COSMOtherm 0.020446980504041846 Catalyst 0.24251069900142652 Classical Simulations 0.7289586305278174 Conformers 9.510223490252021E-4 Crystallization 0.09700427960057062 DFTB Plus 0.0028530670470756064 DMol3 0.11935330480266286 DPD 4.7551117451260106E-4 Discover 0.0 Forcite 0.34331906799809797 GULP 0.010936757013789824 LUDI 0.0038040893961008085 LibDock 0.057536852116024724 LigandFit 0.0019020446980504042 MCSS 4.7551117451260106E-4 MODELER 0.09272467902995721 MesoDyn 4.7551117451260106E-4 Mesocite 9.510223490252021E-4 Mesoscale 0.0028530670470756064 Morphology 0.011412268188302425 QSAR 4.7551117451260106E-4 Quantum Mechanics 0.3856395625297194 Reflex 0.08464098906324298 Reflex Plus 9.510223490252021E-4 Semi-empirical 0.0038040893961008085 Sorption 0.03471231573941987 Synthia 9.510223490252021E-4 TURBOMOLE 0.0 VAMP 4.7551117451260106E-4 Visualization 1.0 X-Cell 0.0023775558725630053 ZDOCK 0.0038040893961008085

Year

2021 0.05269607843137255 2022 0.3915441176470588 2023 0.5428921568627451 2024 0.9730392156862745 2025 1.0 2026 0.32536764705882354 2027 0.0

Keywords

synthesized 1.0 target 0.9588950276243093 docking 0.36839779005524864 synthesis 0.36265193370165744 visualization 0.27845303867403315 potential 0.27447513812154695 novel 0.26430939226519334 compound 0.1796685082872928 analysis 0.15447513812154695 activity 0.13569060773480662 binding 0.10011049723756905 promising 0.0881767955801105 between 0.06806629834254144 vitro 0.06408839779005525 design 0.06143646408839779 designed 0.055911602209944754 potent 0.05458563535911602 inhibition 0.054364640883977904 experimental 0.018121546961325966 effective 0.016574585635359115 cell 0.013922651933701657 silico 0.013922651933701657 active 0.011712707182320443 drug 6.629834254143647E-4 energy 0.0
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