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Application

Discovery Studio 1.0 Materials Studio 0.6906192840344918 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.09005112072355485 Amorphous Cell 0.11718442784113252 Blends 0.0011797090051120724 CASTEP 0.3000393236335037 CDOCKER 0.19189933149823044 CHARMm 0.2367282736924892 COMPASS 0.24891860007864727 COMPASS III 0.03814392449862367 COSMObase 0.0 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 3.9323633503735744E-4 COSMOquick 3.9323633503735744E-4 COSMOtherm 0.022414471097129376 Catalyst 0.21942587495084545 Classical Simulations 0.7538340542666142 Conformers 0.0011797090051120724 Crystallization 0.10656704679512387 DFTB Plus 0.003539127015336217 DMol3 0.13448682658277625 DPD 0.0015729453401494297 Discover 0.0011797090051120724 Forcite 0.36059771922925676 GULP 0.011403853716083366 LUDI 0.005505308690523005 LibDock 0.057805741250491545 LigandFit 0.0047188360204482895 MCSS 0.0027526543452615023 MODELER 0.10224144710971293 MesoDyn 7.864726700747149E-4 Mesocite 0.0011797090051120724 Mesoscale 0.003932363350373574 Morphology 0.013763271726307511 Polymorph 7.864726700747149E-4 QSAR 0.0011797090051120724 Quantum Mechanics 0.429020841525757 Reflex 0.09123082972866693 Reflex Plus 0.0015729453401494297 Semi-empirical 0.005112072355485647 Sorption 0.0369642154935116 Synthia 0.0015729453401494297 TURBOMOLE 0.0 VAMP 0.0011797090051120724 Visualization 1.0 X-Cell 0.001966181675186787 ZDOCK 0.0047188360204482895

Year

2019 0.004496908375491849 2020 0.12085441259134345 2021 0.2804946599213041 2022 0.3749297358066329 2023 0.7341202922990444 2024 1.0 2025 0.9179314221472737 2026 0.2984822934232715 2027 0.0

Keywords

synthesized 1.0 target 0.9635425929219278 synthesis 0.35852747643606614 docking 0.34945758491908235 visualization 0.2701404943980082 novel 0.2569802596478748 potential 0.2560910545971901 compound 0.17784101013693757 analysis 0.14227280810955006 activity 0.12982393739996442 binding 0.08892050506846878 promising 0.08394095678463454 between 0.07166992708518584 design 0.06597901476080384 designed 0.06046594344655878 vitro 0.0601102614262849 potent 0.05370798506135515 inhibition 0.04943980081806865 experimental 0.022230126267117196 active 0.014405121821091944 effective 0.01102614262849013 cell 0.009425573537257691 silico 0.0051573892939711895 drug 0.0016005690912324383 energy 0.0
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