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Application

Discovery Studio 1.0 Materials Studio 0.9840308736442878 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06797420741536808 Amorphous Cell 0.2740462117141322 Blends 0.0028658427368798136 CASTEP 0.4027404621171413 CDOCKER 0.1740999462654487 CHARMm 0.26177682249686546 COMPASS 0.3673652158337811 COMPASS III 0.07863156009313989 COSMObase 0.0032240730789897904 COSMOconf 0.00385097617768225 COSMOmic 2.6867275658248256E-4 COSMOperm 0.0013433637829124126 COSMOplex 2.6867275658248256E-4 COSMOquick 0.0017015941250223894 COSMOtherm 0.06269030986924592 Cantera 0.0 Catalyst 0.12081318287658965 Classical Simulations 1.0 Conformers 9.85133440802436E-4 Crystallization 0.0753179294286226 DFTB Plus 0.005463012717177145 DMol3 0.1826974744760881 DPD 0.0028658427368798136 Discover 0.004209206519792227 Forcite 0.5321511732043704 GULP 0.024897008776643383 Kinetix 2.6867275658248256E-4 LUDI 0.005104782375067168 LibDock 0.07119828049435788 LigandFit 0.00707504925667204 MCSS 9.85133440802436E-4 MODELER 0.1955937667920473 MesoDyn 0.0012538061973849184 Mesocite 0.0037614185921547557 Mesoscale 0.00707504925667204 Modules 0.0 Morphology 0.017015941250223893 ONETEP 0.0013433637829124126 Polymorph 0.0018807092960773778 QMERA 1.7911517105498835E-4 QSAR 0.0012538061973849184 Quantum Mechanics 0.5736163353036002 Reflex 0.05579437578362887 Reflex Plus 8.060182697474476E-4 Semi-empirical 0.0071646068421995345 Sorption 0.05624216371126634 Synthia 0.0013433637829124126 TURBOMOLE 5.373455131649651E-4 VAMP 0.0013433637829124126 Visualization 0.8624395486297689 X-Cell 0.0013433637829124126 ZDOCK 0.03000179115171055

Year

2020 0.004689020613996284 2021 0.12049898257099885 2022 0.15279129434663363 2023 0.3868884366982217 2024 0.7823586658409272 2025 1.0 2026 0.37609484207732463 2027 0.0

Keywords

target 1.0 potential 0.2710144372534753 docking 0.21751617968061884 visualization 0.20893807681997473 analysis 0.18500363803469536 between 0.1529123425113928 novel 0.10106077432696359 energy 0.08271742044192548 binding 0.07145866043733007 cell 0.05801707961551718 activity 0.05250258491938881 promising 0.05177497798031632 interaction 0.03733772450503581 stability 0.030176540420480222 synthesized 0.026576800827174205 experimental 0.026193849806609736 performance 0.02018151878374756 effective 0.018343353885038105 mechanism 0.018305058782981658 protein 0.01738597633362693 development 0.01684984490483667 synthesis 0.011718301229272777 including 0.011258760004595412 design 0.0011105579596369624 chemical 0.0
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