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Application

Discovery Studio 0.9576948700866089 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0591016548463357 Amorphous Cell 0.2797478329393223 Blends 0.002364066193853428 CASTEP 0.29353821907013394 CDOCKER 0.16312056737588654 CHARMm 0.25965327029156815 COMPASS 0.3455476753349094 COMPASS III 0.11229314420803782 COSMObase 0.003940110323089046 COSMOconf 0.00591016548463357 COSMOmic 0.0 COSMOperm 7.880220646178094E-4 COSMOplex 3.940110323089047E-4 COSMOquick 0.0 COSMOtherm 0.06382978723404255 Catalyst 0.07171000788022065 Classical Simulations 1.0 Conformers 3.940110323089047E-4 Crystallization 0.0768321513002364 DFTB Plus 0.0035460992907801418 DMol3 0.13750985027580773 DPD 0.002364066193853428 Discover 0.003940110323089046 Forcite 0.52876280535855 GULP 0.013396375098502758 Kinetix 0.0 LUDI 0.002364066193853428 LibDock 0.06540583136327817 LigandFit 0.0031520882584712374 MODELER 0.2364066193853428 Mesocite 0.0035460992907801418 Mesoscale 0.005516154452324665 Morphology 0.017336485421591805 ONETEP 7.880220646178094E-4 Polymorph 0.001970055161544523 QMERA 3.940110323089047E-4 Quantum Mechanics 0.4243498817966903 Reflex 0.05594956658786446 Reflex Plus 3.940110323089047E-4 Semi-empirical 0.00512214342001576 Sorption 0.059495665878644605 Synthia 7.880220646178094E-4 TURBOMOLE 0.0 VAMP 3.940110323089047E-4 Visualization 0.6544523246650906 X-Cell 0.0015760441292356187 ZDOCK 0.027186761229314422

Year

2024 0.020337922403003753 2025 0.968397997496871 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.3199326457587876 analysis 0.22626815407282677 docking 0.21890128394022312 visualization 0.15975584087560513 between 0.1363923384550621 promising 0.09240159966322879 novel 0.08945485161018733 binding 0.07219532729951589 energy 0.07135339928436119 cell 0.060618817091138706 performance 0.04651652283729741 stability 0.04462218480319933 activity 0.04167543675015786 strong 0.029888444537992002 including 0.025257840454641127 enhanced 0.016628078299305408 strategy 0.015786150284150705 development 0.013470848242475268 mechanism 0.013049884234897917 effective 0.011997474215954537 synthesized 0.009261208166701748 experimental 0.0018943380340980846 design 0.0 therapeutic 0.0
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