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Application

Discovery Studio 1.0 Materials Studio 0.14992191566892243 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.010940919037199124 Amorphous Cell 0.03938730853391685 CASTEP 0.10175054704595186 CDOCKER 0.3172866520787746 CHARMm 0.4288840262582057 COMPASS 0.047045951859956234 COMPASS III 0.028446389496717725 COSMObase 0.002188183807439825 COSMOconf 0.0010940919037199124 COSMOtherm 0.03172866520787746 Catalyst 0.16301969365426697 Classical Simulations 0.5536105032822757 Crystallization 0.019693654266958426 DMol3 0.10065645514223195 Discover 0.0 Forcite 0.08096280087527352 GULP 0.00437636761487965 LUDI 0.00437636761487965 LibDock 0.12472647702407003 LigandFit 0.006564551422319475 MCSS 0.0010940919037199124 MODELER 0.42778993435448576 Morphology 0.0010940919037199124 QMERA 0.0010940919037199124 Quantum Mechanics 0.19693654266958424 Reflex 0.018599562363238512 Semi-empirical 0.0010940919037199124 Sorption 0.0032822757111597373 Visualization 1.0 ZDOCK 0.04266958424507659

Year

2023 0.0 2024 0.6237314597970336 2025 1.0 2026 0.1686182669789227

Keywords

activity 1.0 target 0.9564755838641189 docking 0.470276008492569 potential 0.4320594479830149 visualization 0.2659235668789809 analysis 0.2616772823779193 binding 0.1756900212314225 novel 0.15605095541401273 promising 0.12367303609341826 vitro 0.11305732484076433 inhibition 0.09235668789808917 compound 0.08386411889596602 silico 0.07855626326963906 synthesized 0.06740976645435244 synthesis 0.061040339702760085 protein 0.059447983014861996 between 0.04670912951167728 therapeutic 0.038747346072186835 potent 0.03131634819532909 treatment 0.025477707006369428 including 0.016985138004246284 effective 0.015392781316348195 development 0.012208067940552018 strong 5.307855626326964E-4 drug 0.0
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