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Application

Discovery Studio 1.0 Materials Studio 0.09409190371991247 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.009174311926605505 Amorphous Cell 0.01834862385321101 Blends 0.0 CASTEP 0.11009174311926606 CDOCKER 0.3119266055045872 CHARMm 0.44495412844036697 COMPASS 0.03669724770642202 COMPASS III 0.0045871559633027525 COSMOconf 0.0 COSMOtherm 0.013761467889908258 Catalyst 0.24311926605504589 Classical Simulations 0.5275229357798165 Crystallization 0.009174311926605505 DMol3 0.0 Forcite 0.045871559633027525 LUDI 0.0 LibDock 0.12385321100917432 LigandFit 0.0 MODELER 0.2981651376146789 Morphology 0.0 Quantum Mechanics 0.11467889908256881 Reflex 0.0045871559633027525 Sorption 0.0045871559633027525 Visualization 1.0 ZDOCK 0.0

Year

2024 0.03954802259887006 2025 1.0 2026 0.0

Keywords

compound 1.0 target 0.9387254901960784 docking 0.571078431372549 potential 0.5147058823529411 analysis 0.28431372549019607 novel 0.28431372549019607 visualization 0.28431372549019607 binding 0.22794117647058823 synthesized 0.22549019607843138 synthesis 0.2107843137254902 promising 0.20098039215686275 activity 0.18627450980392157 potent 0.18137254901960784 vitro 0.13725490196078433 inhibition 0.12745098039215685 silico 0.11274509803921569 therapeutic 0.06862745098039216 treatment 0.058823529411764705 protein 0.051470588235294115 strong 0.0392156862745098 including 0.03676470588235294 drug 0.03431372549019608 development 0.029411764705882353 effective 0.012254901960784314 design 0.0
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