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Application

Discovery Studio 1.0 Materials Studio 0.1340974212034384 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.013638843426077468 Amorphous Cell 0.028368794326241134 CASTEP 0.07528641571194762 CDOCKER 0.2711402073104201 CHARMm 0.353518821603928 COMPASS 0.0430987452264048 COMPASS III 0.01745771958537916 COSMObase 0.0016366612111292963 COSMOconf 0.0016366612111292963 COSMOtherm 0.024004364429896344 Catalyst 0.1718494271685761 Classical Simulations 0.45553737043098746 Conformers 0.0 Crystallization 0.01800327332242226 DMol3 0.0861974904528096 DPD 0.0 Discover 0.0 Forcite 0.07037643207855974 GULP 0.002727768685215494 LUDI 0.002727768685215494 LibDock 0.10638297872340426 LigandFit 0.006546644844517185 MCSS 5.455537370430987E-4 MODELER 0.3033278777959629 Mesocite 0.0 Mesoscale 0.0 Morphology 0.002182214948172395 QMERA 5.455537370430987E-4 QSAR 0.0 Quantum Mechanics 0.15821058374249863 Reflex 0.015821058374249863 Semi-empirical 5.455537370430987E-4 Sorption 0.0038188761593016913 Visualization 1.0 ZDOCK 0.03382433169667212

Year

2022 0.017450682852807285 2023 0.34522003034901366 2024 1.0 2025 0.9142640364188164 2026 0.0

Keywords

activity 1.0 target 0.9631500742942051 docking 0.49212481426448734 potential 0.4089153046062407 visualization 0.33046062407132243 analysis 0.24041604754829124 binding 0.1610698365527489 novel 0.15393759286775632 vitro 0.12897473997028233 compound 0.09301634472511144 inhibition 0.09301634472511144 promising 0.09063893016344725 silico 0.0861812778603269 synthesis 0.07667161961367014 protein 0.07637444279346212 synthesized 0.07399702823179792 between 0.04101040118870728 potent 0.03387815750371471 treatment 0.02912332838038633 development 0.017533432392273403 therapeutic 0.01337295690936107 drug 0.012481426448737 active 0.00950965824665676 effective 0.006537890044576523 including 0.0
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