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Application

Discovery Studio 1.0 Materials Studio 0.9502387534556421 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.058768656716417914 Amorphous Cell 0.27860696517412936 Blends 0.0021766169154228856 CASTEP 0.3125 CDOCKER 0.1707089552238806 CHARMm 0.28016169154228854 COMPASS 0.33240049751243783 COMPASS III 0.10634328358208955 COSMObase 0.0046641791044776115 COSMOconf 0.00777363184079602 COSMOmic 0.0 COSMOperm 6.218905472636816E-4 COSMOplex 3.109452736318408E-4 COSMOquick 9.328358208955224E-4 COSMOtherm 0.06685323383084577 Catalyst 0.07929104477611941 Classical Simulations 1.0 Conformers 3.109452736318408E-4 Crystallization 0.0708955223880597 DFTB Plus 0.0021766169154228856 DMol3 0.14303482587064675 DPD 0.0012437810945273632 Discover 0.0046641791044776115 Forcite 0.5189676616915423 GULP 0.016791044776119403 Kinetix 0.0 LUDI 0.004353233830845771 LibDock 0.07369402985074627 LigandFit 0.00404228855721393 MCSS 3.109452736318408E-4 MODELER 0.26430348258706465 MesoDyn 6.218905472636816E-4 Mesocite 0.003420398009950249 Mesoscale 0.005286069651741294 Morphology 0.017101990049751242 ONETEP 6.218905472636816E-4 Polymorph 0.001554726368159204 QMERA 0.0 QSAR 6.218905472636816E-4 Quantum Mechanics 0.4468283582089552 Reflex 0.051305970149253734 Reflex Plus 0.0 Semi-empirical 0.0037313432835820895 Sorption 0.05441542288557214 Synthia 9.328358208955224E-4 TURBOMOLE 0.0 VAMP 9.328358208955224E-4 Visualization 0.7005597014925373 X-Cell 0.0012437810945273632 ZDOCK 0.03140547263681592

Year

2024 0.2376521116678597 2025 1.0 2026 0.7675972321641613 2027 0.0

Keywords

target 1.0 potential 0.3163919413919414 docking 0.22924297924297923 analysis 0.21611721611721613 visualization 0.1614774114774115 between 0.1382783882783883 novel 0.09615384615384616 promising 0.08928571428571429 binding 0.07967032967032966 energy 0.0644078144078144 cell 0.058455433455433456 activity 0.047619047619047616 stability 0.03968253968253968 performance 0.028998778998779 including 0.025488400488400488 strong 0.020451770451770452 development 0.01617826617826618 effective 0.013125763125763126 mechanism 0.010531135531135532 enhanced 0.00992063492063492 synthesized 0.0086996336996337 experimental 0.004120879120879121 interaction 0.0010683760683760685 therapeutic 4.578754578754579E-4 strategy 0.0
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