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Application

Discovery Studio 0.695364238410596 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.057057057057057055 Amorphous Cell 0.2972972972972973 Blends 0.001001001001001001 CASTEP 0.25825825825825827 CDOCKER 0.12912912912912913 CHARMm 0.19019019019019018 COMPASS 0.36936936936936937 COMPASS III 0.13113113113113112 COSMObase 0.004004004004004004 COSMOconf 0.01001001001001001 COSMOmic 0.0 COSMOperm 0.001001001001001001 COSMOplex 0.0 COSMOtherm 0.07907907907907907 Catalyst 0.06106106106106106 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.0890890890890891 DFTB Plus 0.002002002002002002 DMol3 0.1111111111111111 DPD 0.002002002002002002 Discover 0.004004004004004004 Forcite 0.5875875875875876 GULP 0.009009009009009009 Kinetix 0.0 LibDock 0.04904904904904905 LigandFit 0.001001001001001001 MODELER 0.1781781781781782 Mesocite 0.004004004004004004 Mesoscale 0.006006006006006006 Morphology 0.018018018018018018 ONETEP 0.002002002002002002 Polymorph 0.002002002002002002 Quantum Mechanics 0.3683683683683684 Reflex 0.06506506506506507 Reflex Plus 0.0 Semi-empirical 0.002002002002002002 Sorption 0.07107107107107107 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.5435435435435435 X-Cell 0.001001001001001001 ZDOCK 0.01901901901901902

Year

2025 0.6710816777041942 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.2658797077009556 analysis 0.20067453625632378 docking 0.16301292861157954 between 0.12759977515458124 visualization 0.11973018549747048 energy 0.08094435075885328 novel 0.07982012366498033 promising 0.07419898819561552 performance 0.07307476110174255 cell 0.0713884204609331 binding 0.04946599213041034 strategy 0.0477796514896009 stability 0.03541315345699832 activity 0.03316469926925239 strong 0.029792017987633503 synthesized 0.02023608768971332 mechanism 0.01517706576728499 enhanced 0.012928611579539067 design 0.010680157391793142 effective 0.010680157391793142 including 0.01011804384485666 experimental 0.003372681281618887 efficient 0.002810567734682406 development 0.0
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