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Application

Discovery Studio 1.0 Materials Studio 0.6387127084801504 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08849235251274581 Amorphous Cell 0.1088856518572469 Blends 0.0010924981791697013 CASTEP 0.2887836853605244 CDOCKER 0.2123088128186453 CHARMm 0.25054624908958484 COMPASS 0.24107793153678078 COMPASS III 0.03605243991260015 COSMObase 0.0 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 3.641660597232338E-4 COSMOquick 3.641660597232338E-4 COSMOtherm 0.021485797523670795 Catalyst 0.2381646030589949 Classical Simulations 0.7447195921340131 Conformers 0.0014566642388929353 Crystallization 0.09905316824471959 DFTB Plus 0.003641660597232338 DMol3 0.129278951201748 DPD 7.283321194464676E-4 Discover 3.641660597232338E-4 Forcite 0.342680262199563 GULP 0.011289147851420248 LUDI 0.007283321194464676 LibDock 0.061908230152949745 LigandFit 0.006190823015294974 MCSS 0.0029133284777858705 MODELER 0.11361981063364894 MesoDyn 7.283321194464676E-4 Mesocite 0.0010924981791697013 Mesoscale 0.0029133284777858705 Morphology 0.012745812090313183 Polymorph 0.0010924981791697013 QSAR 0.0014566642388929353 Quantum Mechanics 0.4107793153678077 Reflex 0.08448652585579024 Reflex Plus 0.0010924981791697013 Semi-empirical 0.005462490895848507 Sorption 0.035324107793153675 Synthia 0.001820830298616169 TURBOMOLE 0.0 VAMP 0.0014566642388929353 Visualization 1.0 X-Cell 0.001820830298616169 ZDOCK 0.004369992716678805

Year

2018 0.06464305789769534 2019 0.12141652613827993 2020 0.1551433389544688 2021 0.30635188308038225 2022 0.433389544688027 2023 0.7206295671725689 2024 1.0 2025 0.9179314221472737 2026 0.2984822934232715 2027 0.0

Keywords

synthesized 1.0 target 0.9648546559369354 synthesis 0.37658071932993925 docking 0.36393496469042536 visualization 0.2752504516340943 novel 0.2644112333716538 potential 0.25652816554442437 compound 0.19494169814419446 activity 0.1466579077024142 analysis 0.14600098538347842 binding 0.10133026769584497 promising 0.08654951551978979 design 0.0812941369683035 designed 0.07603875841681722 vitro 0.07176876334373461 between 0.07012645754639514 potent 0.06881261290852357 inhibition 0.06076531450156019 experimental 0.02561997043849565 active 0.02414189522089013 cell 0.015437674494990967 effective 0.010839218262440466 drug 0.009689604204302841 silico 0.004598456232550501 energy 0.0
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