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Application

Discovery Studio 1.0 Materials Studio 0.15913087164029138 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.015039388875626641 Amorphous Cell 0.023633325375984723 Antibody 2.3872045834328001E-4 Blends 4.7744091668656003E-4 CASTEP 0.09310097875387921 CDOCKER 0.2972069706373836 CHARMm 0.35306755788971117 COMPASS 0.045834328001909765 COMPASS III 0.01002625925041776 COSMObase 7.161613750298401E-4 COSMOconf 0.0011936022917164002 COSMOperm 2.3872045834328001E-4 COSMOtherm 0.01885891620911912 Catalyst 0.21174504655048937 Classical Simulations 0.45309142993554546 Conformers 4.7744091668656003E-4 Crystallization 0.019097636667462402 DFTB Plus 4.7744091668656003E-4 DMol3 0.11458582000477441 DPD 2.3872045834328001E-4 Discover 4.7744091668656003E-4 Forcite 0.06660300787777512 GULP 0.0033420864168059203 LUDI 0.0062067319169252805 LibDock 0.10957269037956553 LigandFit 0.020529959417522083 MCSS 0.0019097636667462401 MODELER 0.3019813798042492 MesoDyn 2.3872045834328001E-4 Mesocite 7.161613750298401E-4 Mesoscale 0.0011936022917164002 Morphology 0.0019097636667462401 ONETEP 2.3872045834328001E-4 Polymorph 0.0 QMERA 4.7744091668656003E-4 QSAR 9.548818333731201E-4 Quantum Mechanics 0.2033898305084746 Reflex 0.01694915254237288 Semi-empirical 0.0016710432084029601 Sorption 0.004296968250179041 VAMP 2.3872045834328001E-4 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03389830508474576

Year

2016 0.0 2017 0.06976744186046512 2018 0.1168327796234773 2019 0.296234772978959 2020 0.35437430786268 2021 0.44905869324473974 2022 0.5880398671096345 2023 0.8073089700996677 2024 1.0 2025 0.7774086378737541 2026 0.054817275747508304

Keywords

activity 1.0 target 0.9704209328782708 docking 0.43888256857540137 visualization 0.33383895841233724 potential 0.32435848818101376 analysis 0.186322841612944 novel 0.17216533940083428 binding 0.14814814814814814 vitro 0.11730501832890912 compound 0.09910251548476805 inhibition 0.09366704588547592 synthesis 0.09240298318796612 synthesized 0.0888636076349387 protein 0.0844393881936544 between 0.05915813424345848 promising 0.055871571229933005 silico 0.053469852104664393 active 0.047275944886866386 potent 0.04626469472885855 treatment 0.03198078624699785 drug 0.030211098470484136 development 0.01757047149538617 interaction 0.016685627607129314 enzyme 0.013651877133105802 mechanism 0.0
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