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Application

Discovery Studio 1.0 Materials Studio 0.4358589647411853 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.047156726768377254 Amorphous Cell 0.11927877947295423 CASTEP 0.31345353675450766 CDOCKER 0.24687933425797504 CHARMm 0.4133148404993065 COMPASS 0.18446601941747573 COMPASS III 0.05409153952843273 COSMObase 0.0027739251040221915 COSMOconf 0.004160887656033287 COSMOquick 0.0 COSMOtherm 0.056865464632454926 Catalyst 0.11650485436893204 Classical Simulations 0.811373092926491 Crystallization 0.024965325936199722 DMol3 0.12343966712898752 DPD 0.0 Discover 0.0013869625520110957 Forcite 0.26629680998613037 GULP 0.011095700416088766 Kinetix 0.0 LUDI 0.006934812760055479 LibDock 0.08876560332871013 LigandFit 0.004160887656033287 MODELER 0.3300970873786408 Mesocite 0.0013869625520110957 Mesoscale 0.0027739251040221915 Morphology 0.004160887656033287 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.42995839112343964 Reflex 0.019417475728155338 Semi-empirical 0.0013869625520110957 Sorption 0.018030513176144243 VAMP 0.0 Visualization 1.0 X-Cell 0.0013869625520110957 ZDOCK 0.026352288488210817

Year

2024 0.0 2025 1.0 2026 0.0670995670995671

Keywords

potential 1.0 target 0.9347058823529412 docking 0.3864705882352941 analysis 0.2958823529411765 visualization 0.22411764705882353 promising 0.15764705882352942 binding 0.1535294117647059 novel 0.10588235294117647 therapeutic 0.09529411764705882 activity 0.09411764705882353 between 0.09235294117647058 protein 0.05529411764705883 stability 0.05411764705882353 strong 0.05352941176470588 including 0.04941176470588235 vitro 0.047058823529411764 silico 0.04058823529411765 compound 0.02823529411764706 treatment 0.02823529411764706 inhibition 0.02588235294117647 development 0.02 effective 0.01588235294117647 synthesized 0.005294117647058823 drug 0.0035294117647058825 synthesis 0.0
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