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Application

Discovery Studio 1.0 Materials Studio 0.9076731129132876 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06813385589388002 Amorphous Cell 0.2628881519445282 Blends 0.0030147723846849564 CASTEP 0.4163400663249925 CDOCKER 0.1796804341272234 CHARMm 0.2882122399758818 COMPASS 0.3910159782936388 COMPASS III 0.04401567681640036 COSMObase 9.044317154054868E-4 COSMOconf 6.029544769369913E-4 COSMOperm 0.0012059089538739825 COSMOplex 0.0 COSMOquick 6.029544769369913E-4 COSMOtherm 0.0551703346397347 Cantera 0.0 Catalyst 0.12119384986433525 Classical Simulations 1.0 Conformers 9.044317154054868E-4 Crystallization 0.08139885438649382 DFTB Plus 0.008441362677117878 DMol3 0.19505577328911666 DPD 0.004522158577027435 Discover 0.003316249623153452 Forcite 0.5004522158577027 GULP 0.031956587277660535 Kinetix 0.0 LUDI 0.0030147723846849564 LibDock 0.07657521857099789 LigandFit 0.005426590292432921 MCSS 9.044317154054868E-4 MODELER 0.27223394633705156 MesoDyn 0.0030147723846849564 Mesocite 0.005426590292432921 Mesoscale 0.010853180584865842 Morphology 0.018993066023515224 ONETEP 3.0147723846849563E-4 Polymorph 0.0015073861923424782 QMERA 3.0147723846849563E-4 QSAR 0.0015073861923424782 Quantum Mechanics 0.6014470907446487 Reflex 0.060898402170636114 Semi-empirical 0.01175761230027133 Sorption 0.04311124510099487 Synthia 0.0021103406692794696 TURBOMOLE 9.044317154054868E-4 VAMP 0.002411817907747965 Visualization 0.8453421766656617 X-Cell 3.0147723846849563E-4 ZDOCK 0.030147723846849564

Year

2024 0.0

Keywords

target 1.0 potential 0.2884004884004884 docking 0.2326007326007326 analysis 0.194993894993895 visualization 0.18473748473748475 between 0.15714285714285714 novel 0.1021978021978022 binding 0.0761904761904762 energy 0.06874236874236875 activity 0.05885225885225885 cell 0.0463980463980464 interaction 0.04627594627594628 promising 0.04566544566544566 protein 0.029181929181929182 stability 0.028205128205128206 synthesized 0.02564102564102564 experimental 0.02551892551892552 effective 0.022588522588522588 mechanism 0.01855921855921856 development 0.015995115995115994 synthesis 0.015873015873015872 including 0.012698412698412698 chemical 0.0029304029304029304 well 0.002442002442002442 compound 0.0
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