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Application

Discovery Studio 1.0 Materials Studio 0.1527777777777778 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.015141955835962145 Amorphous Cell 0.02334384858044164 CASTEP 0.07886435331230283 CDOCKER 0.25173501577287066 CHARMm 0.3141955835962145 COMPASS 0.04605678233438486 COMPASS III 0.010725552050473186 COSMObase 0.0012618296529968455 COSMOconf 0.0012618296529968455 COSMOperm 0.0 COSMOtherm 0.017665615141955835 Catalyst 0.15205047318611986 Classical Simulations 0.4138801261829653 Conformers 0.0 Crystallization 0.02145110410094637 DMol3 0.09211356466876972 DPD 0.0 Discover 0.0 Forcite 0.06876971608832808 GULP 0.0018927444794952682 LUDI 0.0037854889589905363 LibDock 0.10031545741324921 LigandFit 0.008832807570977918 MCSS 6.309148264984228E-4 MODELER 0.2277602523659306 Mesocite 0.0 Mesoscale 0.0 Morphology 0.0018927444794952682 ONETEP 0.0 Polymorph 0.0 QMERA 0.0 Quantum Mechanics 0.16782334384858044 Reflex 0.01829652996845426 Semi-empirical 0.0 Sorption 0.004416403785488959 Visualization 1.0 ZDOCK 0.032176656151419555

Year

2020 0.0 2021 0.3800217155266015 2022 0.5472312703583062 2023 0.7090119435396308 2024 1.0 2025 0.8306188925081434 2026 0.1237785016286645

Keywords

activity 1.0 target 0.9624087591240876 docking 0.47737226277372263 visualization 0.36605839416058394 potential 0.3624087591240876 analysis 0.21496350364963504 binding 0.15255474452554746 novel 0.14562043795620438 vitro 0.11058394160583941 compound 0.09671532846715329 inhibition 0.0854014598540146 synthesis 0.07737226277372262 protein 0.07372262773722628 synthesized 0.07116788321167883 promising 0.06788321167883211 silico 0.06751824817518248 between 0.041605839416058395 potent 0.031751824817518245 treatment 0.03102189781021898 active 0.025182481751824817 drug 0.018613138686131386 development 0.008394160583941606 effective 0.0025547445255474453 interaction 0.0010948905109489052 enzyme 0.0
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