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Application

Discovery Studio 1.0 Materials Studio 0.13852647735993862 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.010638297872340425 Amorphous Cell 0.034954407294832825 CASTEP 0.08434650455927052 CDOCKER 0.28343465045592703 CHARMm 0.3708206686930091 COMPASS 0.044832826747720364 COMPASS III 0.020516717325227963 COSMObase 0.001519756838905775 COSMOconf 0.0022796352583586625 COSMOtherm 0.02507598784194529 Catalyst 0.1717325227963526 Classical Simulations 0.479483282674772 Crystallization 0.0121580547112462 DMol3 0.09042553191489362 Discover 0.0 Forcite 0.0729483282674772 GULP 0.00303951367781155 LUDI 0.0022796352583586625 LibDock 0.11170212765957446 LigandFit 0.008358662613981762 MCSS 0.0 MODELER 0.3586626139817629 Morphology 0.0 QMERA 7.598784194528875E-4 QSAR 7.598784194528875E-4 Quantum Mechanics 0.17097264437689969 Reflex 0.0121580547112462 Semi-empirical 7.598784194528875E-4 Sorption 0.003799392097264438 Visualization 1.0 ZDOCK 0.03419452887537994

Year

2023 0.15270506108202445 2024 0.7774869109947644 2025 1.0 2026 0.0

Keywords

activity 1.0 target 0.9598249801113763 docking 0.48369132856006364 potential 0.4144789180588703 visualization 0.3042959427207637 analysis 0.23786793953858393 binding 0.16865552903739062 novel 0.16070007955449483 vitro 0.13206046141607 promising 0.1026252983293556 inhibition 0.09188544152744631 compound 0.08750994431185362 silico 0.08711217183770883 synthesized 0.07915672235481305 synthesis 0.07438345266507558 protein 0.066030230708035 between 0.04813046937151949 potent 0.0330151153540175 therapeutic 0.028241845664280032 treatment 0.021479713603818614 development 0.015513126491646777 drug 0.013524264120922832 active 0.007159904534606206 including 0.005171042163882259 effective 0.0
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