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Application

Discovery Studio 0.8780847922379245 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.061493797835840594 Amorphous Cell 0.28741092636579574 Blends 0.0018474531538664556 CASTEP 0.3375560833993138 CDOCKER 0.1543942992874109 CHARMm 0.24650303510160992 COMPASS 0.3446819741356558 COMPASS III 0.1111111111111111 COSMObase 0.005278437582475587 COSMOconf 0.006861968857218264 COSMOmic 0.0 COSMOperm 5.278437582475588E-4 COSMOplex 2.639218791237794E-4 COSMOquick 7.91765637371338E-4 COSMOtherm 0.06835576669305886 Catalyst 0.0715228292425442 Classical Simulations 1.0 Conformers 5.278437582475588E-4 Crystallization 0.07627342306677223 DFTB Plus 0.0026392187912377936 DMol3 0.15281076801266824 DPD 0.002111375032990235 Discover 0.00422275006598047 Forcite 0.5431512272367379 GULP 0.01689100026392188 Kinetix 2.639218791237794E-4 LUDI 0.003694906307732911 LibDock 0.0625494853523357 LigandFit 0.003694906307732911 MCSS 0.0 MODELER 0.23040380047505937 MesoDyn 0.0 Mesocite 0.003167062549485352 Mesoscale 0.005278437582475587 Morphology 0.01741884402216944 ONETEP 0.0010556875164951175 Polymorph 0.002111375032990235 QMERA 2.639218791237794E-4 QSAR 5.278437582475588E-4 Quantum Mechanics 0.4821852731591449 Reflex 0.055159672736869884 Reflex Plus 5.278437582475588E-4 Semi-empirical 0.0044866719451042494 Sorption 0.06070203219846925 Synthia 0.0010556875164951175 TURBOMOLE 0.0 VAMP 0.0010556875164951175 Visualization 0.647136447611507 X-Cell 0.0018474531538664556 ZDOCK 0.025864344154130376

Year

2024 0.22231614539306846 2025 1.0 2026 0.8241758241758241 2027 0.0

Keywords

target 1.0 potential 0.3014232008592911 analysis 0.21697099892588614 docking 0.2026047261009667 visualization 0.15037593984962405 between 0.14325993555316863 promising 0.09035982814178303 novel 0.08633190118152524 energy 0.08512352309344791 cell 0.0663265306122449 binding 0.06458109559613319 performance 0.0549140708915145 stability 0.04618689581095596 activity 0.0378625134264232 including 0.02443609022556391 enhanced 0.021616541353383457 experimental 0.021482277121374866 strong 0.021482277121374866 effective 0.016917293233082706 synthesized 0.014903329752953814 mechanism 0.013157894736842105 development 0.012755102040816327 strategy 0.00966702470461869 design 0.006041890440386681 interaction 0.0
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