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Application

Discovery Studio 1.0 Materials Studio 0.01842948717948718 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.003169572107765452 Amorphous Cell 0.001584786053882726 CASTEP 0.001584786053882726 CDOCKER 0.24247226624405704 CHARMm 0.4294770206022187 COMPASS 0.006339144215530904 COMPASS III 0.001584786053882726 COSMOtherm 0.003169572107765452 Catalyst 0.13153724247226625 Classical Simulations 0.45166402535657685 Crystallization 0.001584786053882726 DMol3 0.012678288431061807 Forcite 0.014263074484944533 LUDI 0.006339144215530904 LibDock 0.10142630744849446 LigandFit 0.001584786053882726 MODELER 0.3264659270998415 Quantum Mechanics 0.01584786053882726 Reflex 0.001584786053882726 Sorption 0.0 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03486529318541997

Year

2024 0.14393939393939395 2025 1.0 2026 0.0

Keywords

docking 1.0 target 0.9648093841642229 potential 0.5581622678396871 analysis 0.37927663734115347 visualization 0.3724340175953079 binding 0.3255131964809384 activity 0.1798631476050831 novel 0.12805474095796676 silico 0.12218963831867058 protein 0.11925708699902249 promising 0.10459433040078202 vitro 0.09872922776148582 inhibition 0.093841642228739 therapeutic 0.09286412512218964 compound 0.07820136852394917 between 0.05180840664711633 including 0.03812316715542522 drug 0.03714565004887586 stability 0.03128054740957967 strong 0.02932551319648094 interaction 0.028347996089931573 synthesized 0.024437927663734114 synthesis 0.022482893450635387 treatment 0.01857282502443793 binding affinity 0.0
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