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Application

Discovery Studio 1.0 Materials Studio 0.40485102560263514 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.046153846153846156 Amorphous Cell 0.10106100795755968 Antibody 2.652519893899204E-4 Blends 0.0010610079575596816 CASTEP 0.2819628647214854 CDOCKER 0.2440318302387268 CHARMm 0.35782493368700263 COMPASS 0.16551724137931034 COMPASS III 0.03262599469496021 COSMObase 0.002122015915119363 COSMOconf 0.0023872679045092837 COSMOperm 0.0010610079575596816 COSMOquick 2.652519893899204E-4 COSMOtherm 0.052254641909814326 Cantera 0.0 Catalyst 0.18673740053050397 Classical Simulations 0.7026525198938992 Conformers 0.0010610079575596816 Crystallization 0.034482758620689655 DFTB Plus 0.003183023872679045 DMol3 0.1286472148541114 DPD 0.0015915119363395225 Discover 0.003183023872679045 Forcite 0.22519893899204244 GULP 0.017241379310344827 Kinetix 5.305039787798408E-4 LUDI 0.008488063660477453 LibDock 0.1039787798408488 LigandFit 0.014058355437665782 MCSS 0.0015915119363395225 MODELER 0.27877984084880636 MesoDyn 5.305039787798408E-4 Mesocite 2.652519893899204E-4 Mesoscale 0.002652519893899204 Morphology 0.008488063660477453 ONETEP 0.0015915119363395225 Polymorph 0.001856763925729443 QMERA 5.305039787798408E-4 QSAR 0.0015915119363395225 Quantum Mechanics 0.4015915119363395 Reflex 0.023872679045092837 Semi-empirical 0.00636604774535809 Sorption 0.028381962864721486 Synthia 2.652519893899204E-4 TURBOMOLE 2.652519893899204E-4 VAMP 0.002122015915119363 Visualization 1.0 X-Cell 5.305039787798408E-4 ZDOCK 0.03156498673740053

Year

2016 0.0 2017 0.025178632187818985 2018 0.09561075195644778 2019 0.12283089486219803 2020 0.1514120449132358 2021 0.21912215039128954 2022 0.3290234773732562 2023 0.48758080979925145 2024 0.7213337870023817 2025 1.0 2026 0.24055801292956788 2027 3.402517863218782E-4

Keywords

potential 1.0 target 0.9559801668883783 docking 0.3677591002539606 visualization 0.25166283710243076 analysis 0.2343693312371508 binding 0.1338735034466078 novel 0.12758495585923327 activity 0.08924900229773854 promising 0.07848591123473213 between 0.07171362921755955 protein 0.06058773733220462 drug 0.046196638045712904 silico 0.03652194944975209 therapeutic 0.03337767565606482 vitro 0.03228927318901923 compound 0.026000725601644698 inhibition 0.024307655097351555 treatment 0.02152618212601282 development 0.018623775547224573 including 0.01620510339823437 interaction 0.015116700931188777 synthesized 0.004837344297980409 stability 0.004595477083081389 effective 0.0013302696819446124 energy 0.0
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