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Application

Discovery Studio 1.0 Materials Studio 0.9722685571309424 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06910452058738842 Amorphous Cell 0.27008350129570974 Blends 0.0028793550244745176 CASTEP 0.42729628563201844 CDOCKER 0.17160955945868125 CHARMm 0.2752663403397639 COMPASS 0.397063057875036 COMPASS III 0.04520587388424993 COSMObase 8.638065073423554E-4 COSMOconf 5.758710048949035E-4 COSMOmic 0.0 COSMOperm 0.001151742009789807 COSMOplex 0.0 COSMOquick 5.758710048949035E-4 COSMOtherm 0.05643535847970055 Cantera 0.0 Catalyst 0.11575007198387562 Classical Simulations 1.0 Conformers 8.638065073423554E-4 Crystallization 0.0806219406852865 DFTB Plus 0.00806219406852865 DMol3 0.2018427872156637 DPD 0.004319032536711776 Discover 0.003743161531816873 Forcite 0.513676936366254 GULP 0.0328246472790095 Kinetix 0.0 LUDI 0.0028793550244745176 LibDock 0.07313561762165274 LigandFit 0.005182839044054132 MCSS 8.638065073423554E-4 MODELER 0.26000575871004894 MesoDyn 0.0031672905269219693 Mesocite 0.005182839044054132 Mesoscale 0.010653613590555715 Morphology 0.018427872156636913 ONETEP 2.8793550244745177E-4 Polymorph 0.0014396775122372588 QMERA 2.8793550244745177E-4 QSAR 0.0014396775122372588 Quantum Mechanics 0.618197523754679 Reflex 0.06075439101641232 Semi-empirical 0.011229484595450619 Sorption 0.04319032536711777 Synthia 0.0020155485171321624 TURBOMOLE 8.638065073423554E-4 VAMP 0.002303484019579614 Visualization 0.8111143103944717 X-Cell 2.8793550244745177E-4 ZDOCK 0.028793550244745177

Year

2024 0.0

Keywords

target 1.0 potential 0.2850247233341182 docking 0.22251000706380974 analysis 0.1940193077466447 visualization 0.17777254532611256 between 0.16258535436778904 novel 0.10254297150930068 energy 0.07711325641629385 binding 0.07287497056745938 activity 0.05627501765952437 cell 0.05180127148575465 interaction 0.04897574758653167 promising 0.04591476336237344 stability 0.031787143866258534 experimental 0.03025665175417942 synthesized 0.027548858017424065 protein 0.026724746880150696 effective 0.025900635742877324 mechanism 0.022133270543913352 development 0.017777254532611256 synthesis 0.017188603720273133 including 0.015775841770661644 chemical 0.004944666823640216 well 0.004356016011302095 compound 0.0
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