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Application

Discovery Studio 1.0 Materials Studio 0.12985571587125416 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.02427564604541895 Amorphous Cell 0.04463586530931871 CASTEP 0.04385277995301488 CDOCKER 0.24353954581049334 CHARMm 0.4988253719655442 COMPASS 0.056382145653876274 COMPASS III 0.018794048551292093 COSMOtherm 0.0031323414252153485 Catalyst 0.15270164447924825 Classical Simulations 0.6436961628817541 Crystallization 0.011746280344557557 DFTB Plus 0.0031323414252153485 DMol3 0.07439310884886452 Forcite 0.09945184025058731 GULP 0.006264682850430697 LUDI 0.006264682850430697 LibDock 0.08065779169929523 LigandFit 0.003915426781519186 MCSS 0.0 MODELER 0.4361785434612373 MesoDyn 0.0 Mesocite 0.0 Mesoscale 7.830853563038371E-4 Morphology 0.0023492560689115116 ONETEP 0.0 Polymorph 7.830853563038371E-4 QSAR 7.830853563038371E-4 Quantum Mechanics 0.1182458888018794 Reflex 0.007047768206734534 Semi-empirical 0.003915426781519186 Sorption 0.014878621769772905 Synthia 0.0 VAMP 0.0 Visualization 1.0 ZDOCK 0.04463586530931871

Year

2023 0.030360531309297913 2024 0.8096141682479443 2025 1.0 2026 0.09993674889310562 2027 0.0

Keywords

binding 1.0 target 0.9623698959167334 docking 0.6297037630104083 potential 0.477982385908727 analysis 0.34307445956765414 visualization 0.2862289831865492 protein 0.1709367493995196 between 0.12610088070456366 novel 0.12249799839871897 activity 0.11969575660528423 promising 0.11168935148118495 interaction 0.10288230584467574 silico 0.09487590072057646 therapeutic 0.08967173738991192 vitro 0.06204963971176942 strong 0.057245796637309845 stability 0.055644515612489995 drug 0.05244195356285028 inhibition 0.04323458767013611 including 0.04123298638911129 compound 0.03642914331465172 development 0.010008006405124099 synthesized 0.009207365892714172 treatment 0.0040032025620496394 potent 0.0
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