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Application

Discovery Studio 0.943143281051293 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06908324858346651 Amorphous Cell 0.28047363068429465 Blends 0.0027604242336190616 CASTEP 0.42663082958012494 CDOCKER 0.16867644922272265 CHARMm 0.24669475519395612 COMPASS 0.3808659014964405 COMPASS III 0.0720616010460555 COSMObase 0.0027604242336190616 COSMOconf 0.0032689234345488886 COSMOmic 2.905709719599012E-4 COSMOperm 0.0013075693738195554 COSMOplex 4.358564579398518E-4 COSMOquick 0.001670783088769432 COSMOtherm 0.06457939851808804 Cantera 7.26427429899753E-5 Catalyst 0.11666424524190033 Classical Simulations 1.0 Conformers 0.00123492663082958 Crystallization 0.0785268051721633 DFTB Plus 0.006319918640127852 DMol3 0.19780618916170276 DPD 0.003341566177538864 Discover 0.005230277495278221 Forcite 0.5402440796164463 GULP 0.02782217056516054 Kinetix 2.179282289699259E-4 LUDI 0.005230277495278221 LibDock 0.0679209646956269 LigandFit 0.00726427429899753 MCSS 0.0010896411448496296 MODELER 0.17986343164317883 MesoDyn 0.0018887113177393578 Mesocite 0.004358564579398518 Mesoscale 0.00820862995786721 Modules 0.0 Morphology 0.018596542205433678 ONETEP 0.0013075693738195554 Polymorph 0.0020339968037193083 QMERA 4.358564579398518E-4 QSAR 0.0015981403457794566 Quantum Mechanics 0.6112886822606421 Reflex 0.057896266163010315 Reflex Plus 7.26427429899753E-4 Semi-empirical 0.008789771901787011 Sorption 0.055934912102280986 Synthia 0.0015254976027894813 TURBOMOLE 5.811419439198024E-4 VAMP 0.0018887113177393578 Visualization 0.8462879558332123 X-Cell 0.0011622838878396049 ZDOCK 0.028984454453000144

Year

2020 0.05618934105227311 2021 0.14541120381406436 2022 0.2872467222884386 2023 0.5244338498212158 2024 1.0 2025 0.9736931721437085 2026 0.3619104375957773 2027 0.0

Keywords

target 1.0 potential 0.25206458769875506 docking 0.20103537532355478 visualization 0.20054233945519537 analysis 0.17176137063971403 between 0.15327252557623566 novel 0.09466288672500925 energy 0.08594231480340195 binding 0.06280044373228152 cell 0.05842475040059164 activity 0.04653026007642056 promising 0.04110686552446691 interaction 0.03694687538518427 experimental 0.030722297547146556 synthesized 0.02610008628127696 stability 0.024466904967336375 mechanism 0.017533588068531985 performance 0.01741032910144213 effective 0.014852705534327623 protein 0.013311968445704425 development 0.012634044126710217 synthesis 0.00961419943300875 including 0.005392579810181191 chemical 0.0032971773696536424 design 0.0
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