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Application

Discovery Studio 1.0 Materials Studio 0.979660593960569 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06369527422159 Amorphous Cell 0.27675043464517146 Blends 0.002054686265212581 CASTEP 0.3477161371898214 CDOCKER 0.16895843211632686 CHARMm 0.27358937885253676 COMPASS 0.340761814446025 COMPASS III 0.09498972656867394 COSMObase 0.004425478109688636 COSMOconf 0.005215742057847321 COSMOmic 0.0 COSMOperm 6.32211158526948E-4 COSMOplex 1.58052789631737E-4 COSMOquick 0.001422475106685633 COSMOtherm 0.06401137980085349 Cantera 0.0 Catalyst 0.0978346767820452 Classical Simulations 1.0 Conformers 6.32211158526948E-4 Crystallization 0.06906906906906907 DFTB Plus 0.004267425320056899 DMol3 0.15615615615615616 DPD 0.002212739054844318 Discover 0.003635214161529951 Forcite 0.5236288920499447 GULP 0.01944049312470365 Kinetix 1.58052789631737E-4 LUDI 0.003793266951161688 LibDock 0.07080764975501817 LigandFit 0.004109372530425162 MCSS 6.32211158526948E-4 MODELER 0.23771139560613244 MesoDyn 6.32211158526948E-4 Mesocite 0.003319108582266477 Mesoscale 0.005847953216374269 Modules 0.0 Morphology 0.0158052789631737 ONETEP 7.90263948158685E-4 Polymorph 0.001738580685949107 QMERA 1.58052789631737E-4 QSAR 6.32211158526948E-4 Quantum Mechanics 0.49391496759917813 Reflex 0.05026078710289237 Reflex Plus 7.90263948158685E-4 Semi-empirical 0.005689900426742532 Sorption 0.05405405405405406 Synthia 9.48316737790422E-4 TURBOMOLE 3.16105579263474E-4 VAMP 9.48316737790422E-4 Visualization 0.7577050734945472 X-Cell 0.001738580685949107 ZDOCK 0.028133396554449186

Year

2023 0.11325898389095415 2024 0.480545229244114 2025 1.0 2026 0.5247831474597274 2027 0.0

Keywords

target 1.0 potential 0.2983457766066462 docking 0.22705314009661837 analysis 0.2097789489093837 visualization 0.18240374762113892 between 0.14953886693017127 novel 0.09866783779827258 energy 0.07766066461718636 binding 0.07451324842629191 promising 0.07422046552481334 cell 0.059947299077733864 activity 0.05028546332894159 stability 0.04091641048162787 performance 0.03184014053579271 including 0.022324696237739715 synthesized 0.0211535646318255 interaction 0.019616454399063094 experimental 0.018738105694627433 effective 0.016835016835016835 development 0.016029863855950812 mechanism 0.014419557897818767 protein 0.012736056214317084 enhanced 0.004538134972917582 synthesis 0.003952569169960474 design 0.0
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