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Application

Discovery Studio 1.0 Materials Studio 0.4100486223662885 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04623115577889447 Amorphous Cell 0.1623115577889447 Blends 0.0020100502512562816 CASTEP 0.20753768844221104 CDOCKER 0.228643216080402 CHARMm 0.3748743718592965 COMPASS 0.23618090452261306 COMPASS III 0.024623115577889446 COSMOmic 0.0 COSMOperm 5.025125628140704E-4 COSMOtherm 0.026633165829145728 Catalyst 0.13869346733668342 Classical Simulations 0.8115577889447236 Conformers 5.025125628140704E-4 Crystallization 0.04824120603015075 DFTB Plus 0.002512562814070352 DMol3 0.10703517587939698 DPD 0.0020100502512562816 Discover 5.025125628140704E-4 Forcite 0.32160804020100503 GULP 0.017587939698492462 Kinetix 0.0 LUDI 0.004522613065326633 LibDock 0.09748743718592964 LigandFit 0.007035175879396985 MCSS 0.001507537688442211 MODELER 0.3442211055276382 MesoDyn 0.001507537688442211 Mesocite 0.002512562814070352 Mesoscale 0.006030150753768844 Morphology 0.011055276381909548 ONETEP 0.0 QMERA 0.0 Quantum Mechanics 0.31206030150753766 Reflex 0.036683417085427134 Semi-empirical 0.004522613065326633 Sorption 0.02613065326633166 Synthia 0.0 TURBOMOLE 5.025125628140704E-4 VAMP 0.0010050251256281408 Visualization 1.0 ZDOCK 0.03969849246231156

Year

2024 0.0

Keywords

target 1.0 docking 0.35035012423763273 potential 0.3437994126948272 visualization 0.2622543483171448 analysis 0.2204653264061441 binding 0.12378585949853174 between 0.11136209622769369 novel 0.1097808899932234 activity 0.08402981703185002 protein 0.06799186808222273 promising 0.04156313530607635 interaction 0.03478653715834651 vitro 0.02371809351705444 synthesis 0.02326632030720578 silico 0.015134402529929975 synthesized 0.01445674271515699 compound 0.013101423085611023 cell 0.009713124011746104 effective 0.008131917777275807 drug 0.006550711542805511 development 0.0056471651231082 treatment 0.005195391913259544 including 0.003840072283713576 stability 9.035464196973119E-4 therapeutic 0.0
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