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Application

Discovery Studio 1.0 Materials Studio 0.8614120283899888 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05846925972396487 Amorphous Cell 0.265495608531995 Blends 0.002509410288582183 CASTEP 0.30388958594730237 CDOCKER 0.1864491844416562 CHARMm 0.29937264742785447 COMPASS 0.3254705144291092 COMPASS III 0.10163111668757842 COSMObase 0.005018820577164366 COSMOconf 0.005520702634880803 COSMOmic 0.0 COSMOperm 5.018820577164366E-4 COSMOplex 2.509410288582183E-4 COSMOquick 0.0010037641154328732 COSMOtherm 0.06173149309912171 Catalyst 0.08557089084065245 Classical Simulations 1.0 Conformers 5.018820577164366E-4 Crystallization 0.07001254705144291 DFTB Plus 0.003262233375156838 DMol3 0.14504391468005018 DPD 0.0027603513174404015 Discover 0.004767879548306148 Forcite 0.5026348808030113 GULP 0.01606022584692597 Kinetix 0.0 LUDI 0.00451693851944793 LibDock 0.07754077791718945 LigandFit 0.004767879548306148 MCSS 2.509410288582183E-4 MODELER 0.279297365119197 MesoDyn 5.018820577164366E-4 Mesocite 0.00301129234629862 Mesoscale 0.00602258469259724 Morphology 0.015809284818067756 ONETEP 7.52823086574655E-4 Polymorph 0.002258469259723965 QMERA 2.509410288582183E-4 QSAR 5.018820577164366E-4 Quantum Mechanics 0.4406524466750314 Reflex 0.05094102885821832 Reflex Plus 5.018820577164366E-4 Semi-empirical 0.004767879548306148 Sorption 0.053701380175658724 Synthia 7.52823086574655E-4 TURBOMOLE 0.0 VAMP 7.52823086574655E-4 Visualization 0.7540777917189461 X-Cell 0.0012547051442910915 ZDOCK 0.03136762860727729

Year

2024 0.42869360701304254 2025 1.0 2026 0.8608082103912764 2027 0.0

Keywords

target 1.0 potential 0.3240101707228478 docking 0.2512410703474997 analysis 0.2318682649231142 visualization 0.18077249061629738 between 0.1413003995641119 novel 0.09722726722363483 promising 0.09383702627436735 binding 0.08814626468095411 energy 0.05811841627315656 activity 0.05557573556120596 cell 0.05472817532388909 stability 0.03814021067925899 including 0.0242160067804819 performance 0.02203656617023853 development 0.015740404407313235 synthesized 0.015740404407313235 strong 0.015135004237801187 effective 0.01465068410219155 mechanism 0.010412882915607217 protein 0.008596682407071074 interaction 0.006417241796827703 enhanced 0.0035113209831698754 therapeutic 9.68640271219276E-4 experimental 0.0
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