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Application

Discovery Studio 0.8765486401290228 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06882591093117409 Amorphous Cell 0.2870544090056285 Blends 0.0025673940949935813 CASTEP 0.4044633158882196 CDOCKER 0.15562358052730324 CHARMm 0.23876765083440307 COMPASS 0.37375333267502714 COMPASS III 0.08383529179421349 COSMObase 0.0035548533622988053 COSMOconf 0.004147328922681939 COSMOmic 1.9749185346104473E-4 COSMOperm 0.0013824429742273132 COSMOplex 2.962377801915671E-4 COSMOquick 0.0014811889009578355 COSMOtherm 0.06497481978868372 Cantera 0.0 Catalyst 0.10852177347684408 Classical Simulations 1.0 Conformers 7.899674138441789E-4 Crystallization 0.07534314209538856 DFTB Plus 0.006122247457292387 DMol3 0.18169250518416116 DPD 0.0031598696553767156 Discover 0.0038510911424903724 Forcite 0.5506072874493927 GULP 0.024587735755900068 Kinetix 1.9749185346104473E-4 LUDI 0.0035548533622988053 LibDock 0.06408610644810901 LigandFit 0.005036042263256641 MCSS 3.9498370692208945E-4 MODELER 0.18090253777031698 MesoDyn 0.0011849511207662684 Mesocite 0.004048582995951417 Mesoscale 0.0075046904315197 Modules 0.0 Morphology 0.018070504591685594 ONETEP 0.001086205194035746 Polymorph 0.0020736644613409696 QMERA 1.9749185346104473E-4 QSAR 0.0011849511207662684 Quantum Mechanics 0.5747012935716401 Reflex 0.05470524340870939 Reflex Plus 8.887133405747013E-4 Semi-empirical 0.00789967413844179 Sorption 0.056581416016589316 Synthia 0.0012836970474967907 TURBOMOLE 4.937296336526119E-4 VAMP 0.0013824429742273132 Visualization 0.756887528389454 X-Cell 0.0013824429742273132 ZDOCK 0.026562654290510516

Year

2022 0.09696323921150772 2023 0.26505061267980823 2024 0.7097318415911916 2025 1.0 2026 0.37737524418398155 2027 0.0

Keywords

target 1.0 potential 0.27282821104992006 docking 0.1969266299520341 analysis 0.1887546633505063 visualization 0.18080476105880264 between 0.1564220998401137 novel 0.09646473618759993 energy 0.09531000177651448 cell 0.0665748800852727 binding 0.06191152957896607 promising 0.058536152069639365 activity 0.04485699058447326 stability 0.038328299875643984 performance 0.035930005329543435 experimental 0.03171078344288506 interaction 0.031000177651447858 synthesized 0.02647006573103571 effective 0.020874045123467758 mechanism 0.019808136436311956 development 0.01621069461716113 including 0.015500088825723929 synthesis 0.007905489429738852 protein 0.0062178006750755015 design 9.770829632261503E-4 chemical 0.0
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