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Application

Discovery Studio 1.0 Materials Studio 0.1368909512761021 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.014251781472684086 Amorphous Cell 0.04513064133016627 CASTEP 0.0855106888361045 CDOCKER 0.2826603325415677 CHARMm 0.39429928741092635 COMPASS 0.04275534441805225 COMPASS III 0.026128266033254157 COSMObase 0.0023752969121140144 COSMOtherm 0.030878859857482184 Catalyst 0.15676959619952494 Classical Simulations 0.5130641330166271 Crystallization 0.014251781472684086 DMol3 0.09501187648456057 Forcite 0.07838479809976247 GULP 0.0 LUDI 0.0023752969121140144 LibDock 0.11163895486935867 LigandFit 0.004750593824228029 MCSS 0.0 MODELER 0.4180522565320665 Morphology 0.0 QMERA 0.0 Quantum Mechanics 0.17577197149643706 Reflex 0.011876484560570071 Semi-empirical 0.0 Visualization 1.0 ZDOCK 0.0332541567695962

Year

2024 0.376425855513308 2025 1.0 2026 0.0

Keywords

activity 1.0 target 0.9640718562874252 docking 0.4946107784431138 potential 0.44550898203592815 analysis 0.288622754491018 visualization 0.28263473053892213 binding 0.18682634730538922 novel 0.1377245508982036 promising 0.12215568862275449 vitro 0.12095808383233533 inhibition 0.10658682634730539 compound 0.08982035928143713 silico 0.08502994011976048 synthesis 0.059880239520958084 synthesized 0.05389221556886228 protein 0.05269461077844311 therapeutic 0.04910179640718563 treatment 0.04910179640718563 potent 0.03832335329341317 between 0.03473053892215569 development 0.016766467065868262 effective 0.010778443113772455 including 0.009580838323353293 strong 0.004790419161676647 drug 0.0
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