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Application

Discovery Studio 0.9694896702695307 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06078767123287671 Amorphous Cell 0.2842465753424658 Blends 0.002054794520547945 CASTEP 0.3476027397260274 CDOCKER 0.16386986301369863 CHARMm 0.2606164383561644 COMPASS 0.34691780821917806 COMPASS III 0.10256849315068493 COSMObase 0.004452054794520548 COSMOconf 0.005479452054794521 COSMOmic 1.7123287671232877E-4 COSMOperm 5.136986301369863E-4 COSMOplex 1.7123287671232877E-4 COSMOquick 0.0013698630136986301 COSMOtherm 0.06626712328767123 Catalyst 0.08664383561643836 Classical Simulations 1.0 Conformers 3.4246575342465754E-4 Crystallization 0.07277397260273973 DFTB Plus 0.003938356164383562 DMol3 0.15753424657534246 DPD 0.0018835616438356165 Discover 0.003767123287671233 Forcite 0.5328767123287671 GULP 0.020205479452054795 Kinetix 1.7123287671232877E-4 LUDI 0.003424657534246575 LibDock 0.0684931506849315 LigandFit 0.004280821917808219 MCSS 3.4246575342465754E-4 MODELER 0.2493150684931507 MesoDyn 5.136986301369863E-4 Mesocite 0.0025684931506849314 Mesoscale 0.004794520547945206 Modules 0.0 Morphology 0.017123287671232876 ONETEP 8.561643835616438E-4 Polymorph 0.002054794520547945 QMERA 1.7123287671232877E-4 QSAR 6.849315068493151E-4 Quantum Mechanics 0.4952054794520548 Reflex 0.05291095890410959 Reflex Plus 0.0010273972602739725 Semi-empirical 0.0056506849315068495 Sorption 0.05804794520547945 Synthia 0.0010273972602739725 TURBOMOLE 1.7123287671232877E-4 VAMP 0.0011986301369863014 Visualization 0.7183219178082192 X-Cell 0.0015410958904109589 ZDOCK 0.028595890410958905

Year

2023 0.019269369731031716 2024 0.49605245550649 2025 1.0 2026 0.5669744413220928 2027 0.0

Keywords

target 1.0 potential 0.2996532537698573 docking 0.21296669623417466 analysis 0.20974114990726556 visualization 0.16724457705023787 between 0.14942343359406499 novel 0.09652447383275542 energy 0.08168696072897347 promising 0.07983227159100073 binding 0.0685428594468188 cell 0.06330134666559148 activity 0.048463833561809534 stability 0.039916135795500365 performance 0.039432303846464 including 0.020562857834045642 synthesized 0.018788807354245627 experimental 0.017901782114345618 development 0.016853479558100154 mechanism 0.01580517700185469 effective 0.015401983710991048 interaction 0.011853882751391017 enhanced 0.009434723006209176 strong 0.002983630352390936 protein 0.0029029916942182083 design 0.0
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