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Application

Discovery Studio 1.0 Materials Studio 0.9858979278587874 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06420883335395274 Amorphous Cell 0.27972287517011013 Blends 0.00235061239638748 CASTEP 0.36385005567239886 CDOCKER 0.167759495236917 CHARMm 0.26648521588519114 COMPASS 0.3502412470617345 COMPASS III 0.08759124087591241 COSMObase 0.0037114932574539156 COSMOconf 0.0044537919089446985 COSMOmic 0.0 COSMOperm 7.422986514907832E-4 COSMOplex 1.2371644191513053E-4 COSMOquick 0.0014845973029815663 COSMOtherm 0.06173450451565013 Cantera 0.0 Catalyst 0.11369541012000495 Classical Simulations 1.0 Conformers 7.422986514907832E-4 Crystallization 0.07311641717184214 DFTB Plus 0.004577508350859829 DMol3 0.16404800197946307 DPD 0.00235061239638748 Discover 0.0034640603736236547 Forcite 0.5293826549548435 GULP 0.021897810218978103 Kinetix 2.4743288383026105E-4 LUDI 0.00470122479277496 LibDock 0.06965235679821849 LigandFit 0.005196090560435482 MCSS 6.185822095756526E-4 MODELER 0.2148954596065817 MesoDyn 8.660150934059137E-4 Mesocite 0.0034640603736236547 Mesoscale 0.006185822095756526 Modules 0.0 Morphology 0.017567734751948533 ONETEP 0.0011134479772361746 Polymorph 0.0018557466287269578 QMERA 1.2371644191513053E-4 QSAR 8.660150934059137E-4 Quantum Mechanics 0.5183718916243969 Reflex 0.05295063713967586 Reflex Plus 7.422986514907832E-4 Semi-empirical 0.006309538537671656 Sorption 0.055919831745639 Synthia 8.660150934059137E-4 TURBOMOLE 6.185822095756526E-4 VAMP 0.0013608808610664357 Visualization 0.794259557095138 X-Cell 0.0013608808610664357 ZDOCK 0.028454781640480018

Year

2022 0.04335620711166563 2023 0.22655437720939905 2024 0.5971095861925556 2025 1.0 2026 0.4417758369723435 2027 0.0

Keywords

target 1.0 potential 0.2937090141158164 docking 0.22618650661331555 analysis 0.20245637434700456 visualization 0.19606535511837278 between 0.1517728131599422 novel 0.10214515949761031 energy 0.08430587973769034 binding 0.07613648994109147 promising 0.06735578526175391 cell 0.06418806268756252 activity 0.05507391352673113 stability 0.03962431921751695 performance 0.033011003667889297 interaction 0.030010003334444816 synthesized 0.027620317883739025 experimental 0.024452595309547628 mechanism 0.021229298655107257 including 0.021118150494609314 effective 0.020840280093364454 development 0.01978437256863399 protein 0.018784039124152496 synthesis 0.011392686451039235 design 0.003612315216183172 enhanced 0.0
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