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Application

Discovery Studio 1.0 Materials Studio 0.9905875208744497 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06706527154957648 Amorphous Cell 0.2766317887394121 Blends 0.002491280518186348 CASTEP 0.384853014449427 CDOCKER 0.17070254110612856 CHARMm 0.2626806178375685 COMPASS 0.3582461385151968 COMPASS III 0.08330842052815148 COSMObase 0.003587443946188341 COSMOconf 0.004185351270553065 COSMOmic 1.993024414549078E-4 COSMOperm 0.0013951170901843547 COSMOplex 1.993024414549078E-4 COSMOquick 0.0013951170901843547 COSMOtherm 0.06188340807174888 Cantera 0.0 Catalyst 0.12277030393622322 Classical Simulations 1.0 Conformers 8.968609865470852E-4 Crystallization 0.07314399601395118 DFTB Plus 0.005480817140009965 DMol3 0.17269556552067764 DPD 0.0025909317389138015 Discover 0.003288490284005979 Forcite 0.5344294967613353 GULP 0.02371699053313403 Kinetix 2.9895366218236175E-4 LUDI 0.004783258594917788 LibDock 0.07115097159940209 LigandFit 0.005979073243647235 MCSS 7.972097658196312E-4 MODELER 0.18804185351270553 MesoDyn 0.001195814648729447 Mesocite 0.003388141504733433 Mesoscale 0.006676631788739412 Modules 0.0 Morphology 0.017040358744394617 ONETEP 9.96512207274539E-4 Polymorph 0.0017937219730941704 QMERA 1.993024414549078E-4 QSAR 8.968609865470852E-4 Quantum Mechanics 0.547085201793722 Reflex 0.0536123567513702 Reflex Plus 8.968609865470852E-4 Semi-empirical 0.007075236671649228 Sorption 0.05570503238664674 Synthia 0.0013951170901843547 TURBOMOLE 5.979073243647235E-4 VAMP 0.001195814648729447 Visualization 0.8346786248131539 X-Cell 0.0012954658694569008 ZDOCK 0.02899850523168909

Year

2021 0.0 2022 0.10978308986277113 2023 0.34997786631252764 2024 0.6541832669322709 2025 1.0 2026 0.37715803452855245 2027 7.968127490039841E-4

Keywords

target 1.0 potential 0.28218318148132004 docking 0.22285191159161255 visualization 0.20667858232704128 analysis 0.19438510833079037 between 0.15323248615894328 novel 0.10440734120929422 energy 0.08540040978246655 binding 0.07541741139544009 cell 0.06294956188151184 promising 0.05954923928680413 activity 0.05410000435938794 interaction 0.037316360782946076 stability 0.0366188587122368 synthesized 0.029992589040498716 performance 0.02837961550198352 experimental 0.026984611360564976 effective 0.022625223418632025 mechanism 0.02031474780940756 protein 0.019835215135794934 development 0.01944287022102097 including 0.01752473952657047 synthesis 0.013034569946379528 design 0.002572038885740442 chemical 0.0
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