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Application

Discovery Studio 1.0 Materials Studio 0.11638418079096045 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.00980392156862745 Amorphous Cell 0.03676470588235294 CASTEP 0.07352941176470588 CDOCKER 0.34068627450980393 CHARMm 0.4681372549019608 COMPASS 0.03431372549019608 COMPASS III 0.031862745098039214 COSMObase 0.0024509803921568627 COSMOconf 0.0024509803921568627 COSMOtherm 0.024509803921568627 Catalyst 0.15931372549019607 Classical Simulations 0.5808823529411765 Crystallization 0.012254901960784314 DMol3 0.0784313725490196 Forcite 0.07598039215686274 GULP 0.0024509803921568627 LUDI 0.0 LibDock 0.11519607843137254 LigandFit 0.0024509803921568627 MODELER 0.42892156862745096 Quantum Mechanics 0.14460784313725492 Reflex 0.012254901960784314 Sorption 0.0 Visualization 1.0 ZDOCK 0.0392156862745098

Year

2025 1.0 2026 0.0

Keywords

activity 1.0 target 0.962605548854041 docking 0.5006031363088058 potential 0.47406513872135103 analysis 0.2762364294330519 visualization 0.2617611580217129 binding 0.2014475271411339 novel 0.15440289505428226 promising 0.15440289505428226 vitro 0.12062726176115803 inhibition 0.10615199034981906 silico 0.09408926417370325 therapeutic 0.08443908323281062 compound 0.08082026537997587 synthesis 0.06031363088057901 synthesized 0.05307599517490953 protein 0.04825090470446321 development 0.032569360675512665 potent 0.032569360675512665 strong 0.031363088057901084 including 0.028950542822677925 between 0.026537997587454766 effective 0.0 enzyme 0.0 treatment 0.0
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