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Application

Discovery Studio 0.7931605074462217 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0527369826435247 Amorphous Cell 0.2930574098798398 Blends 0.0013351134846461949 CASTEP 0.27770360480640854 CDOCKER 0.13684913217623498 CHARMm 0.22296395193591456 COMPASS 0.3531375166889186 COMPASS III 0.1321762349799733 COSMObase 0.0026702269692923898 COSMOconf 0.009345794392523364 COSMOmic 0.0 COSMOperm 6.675567423230974E-4 COSMOplex 6.675567423230974E-4 COSMOtherm 0.06809078771695594 Catalyst 0.06942590120160214 Classical Simulations 1.0 Conformers 6.675567423230974E-4 Crystallization 0.08611481975967958 DFTB Plus 0.004005340453938585 DMol3 0.1295060080106809 DPD 0.0020026702269692926 Discover 0.004672897196261682 Forcite 0.5654205607476636 GULP 0.009345794392523364 Kinetix 0.0 LUDI 0.0013351134846461949 LibDock 0.05807743658210948 LigandFit 0.0013351134846461949 MODELER 0.19158878504672897 Mesocite 0.004672897196261682 Mesoscale 0.006008010680907877 Morphology 0.020026702269692925 ONETEP 0.0013351134846461949 Polymorph 0.0020026702269692926 Quantum Mechanics 0.4032042723631509 Reflex 0.062082777036048066 Reflex Plus 0.0 Semi-empirical 0.004005340453938585 Sorption 0.06608811748998665 Synthia 0.0013351134846461949 TURBOMOLE 0.0 Visualization 0.5907877169559412 X-Cell 6.675567423230974E-4 ZDOCK 0.02336448598130841

Year

2025 0.7596630327056492 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.28440366972477066 analysis 0.20036697247706423 docking 0.18385321100917432 visualization 0.13541284403669726 between 0.12697247706422018 promising 0.08220183486238532 energy 0.0781651376146789 novel 0.07045871559633028 cell 0.06458715596330275 performance 0.06348623853211009 binding 0.05137614678899083 stability 0.03596330275229358 strategy 0.03522935779816514 activity 0.03339449541284404 strong 0.031192660550458717 including 0.023853211009174313 mechanism 0.013944954128440367 enhanced 0.012110091743119266 effective 0.008807339449541285 synthesized 0.007339449541284404 design 0.006238532110091743 experimental 0.0047706422018348625 therapeutic 0.0029357798165137615 development 0.0
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