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Application

Discovery Studio 1.0 Materials Studio 0.8196990424076608 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05312383090160868 Amorphous Cell 0.26374859708193044 Blends 0.001122334455667789 CASTEP 0.27908716797605687 CDOCKER 0.19790497568275345 CHARMm 0.3108866442199775 COMPASS 0.3161242050130939 COMPASS III 0.11073699962588851 COSMObase 0.004863449307893753 COSMOconf 0.005985783763561541 COSMOmic 0.0 COSMOperm 3.741114852225963E-4 COSMOplex 3.741114852225963E-4 COSMOquick 7.482229704451926E-4 COSMOtherm 0.06023194912083801 Catalyst 0.08641975308641975 Classical Simulations 1.0 Conformers 3.741114852225963E-4 Crystallization 0.0710811821922933 DFTB Plus 0.004489337822671156 DMol3 0.1324354657687991 DPD 0.0029928918817807705 Discover 0.00411522633744856 Forcite 0.494949494949495 GULP 0.014590347923681257 Kinetix 0.0 LUDI 0.003367003367003367 LibDock 0.07893752338196783 LigandFit 0.004489337822671156 MODELER 0.2824541713430602 Mesocite 0.0037411148522259632 Mesoscale 0.005985783763561541 Morphology 0.015712682379349047 ONETEP 0.001122334455667789 Polymorph 0.002618780396558174 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.4066591844369622 Reflex 0.0512532734754957 Reflex Plus 7.482229704451926E-4 Semi-empirical 0.005237560793116348 Sorption 0.05761316872427984 Synthia 0.001122334455667789 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7639356528245417 X-Cell 7.482229704451926E-4 ZDOCK 0.031051253273475497

Year

2024 0.18184365368450547 2025 1.0 2026 0.8142336789016531 2027 0.0

Keywords

target 1.0 potential 0.33284671532846716 docking 0.25894160583941606 analysis 0.23394160583941606 visualization 0.18667883211678832 between 0.12974452554744526 promising 0.09233576642335767 novel 0.0905109489051095 binding 0.08868613138686131 activity 0.05857664233576643 energy 0.05693430656934306 cell 0.05145985401459854 stability 0.035583941605839414 including 0.029744525547445257 strong 0.020620437956204378 performance 0.017883211678832115 development 0.014416058394160583 synthesized 0.013503649635036497 effective 0.013138686131386862 therapeutic 0.008394160583941606 protein 0.008211678832116789 mechanism 0.0051094890510948905 interaction 0.0018248175182481751 enhanced 0.00145985401459854 strategy 0.0
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