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Application

Discovery Studio 1.0 Materials Studio 0.013422818791946308 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.00421822272215973 Amorphous Cell 0.001687289088863892 CASTEP 0.0011248593925759281 CDOCKER 0.20584926884139482 CHARMm 0.3481439820022497 COMPASS 0.0044994375703037125 COMPASS III 0.0022497187851518562 COSMOperm 0.0 COSMOtherm 8.43644544431946E-4 Catalyst 0.16001124859392576 Classical Simulations 0.36220472440944884 Crystallization 0.00140607424071991 DMol3 0.007874015748031496 Forcite 0.008155230596175478 LUDI 0.00421822272215973 LibDock 0.08970753655793026 LigandFit 0.003093363329583802 MCSS 2.8121484814398203E-4 MODELER 0.28008998875140606 Polymorph 0.0 QSAR 2.8121484814398203E-4 Quantum Mechanics 0.009280089988751405 Reflex 0.0011248593925759281 Sorption 5.624296962879641E-4 Visualization 1.0 X-Cell 5.624296962879641E-4 ZDOCK 0.025028121484814397

Year

2023 0.3661274347969627 2024 1.0 2025 0.7731924727632882 2026 0.0

Keywords

docking 1.0 target 0.9663834503140007 potential 0.5083117842630218 visualization 0.4309198374584411 analysis 0.3670114517916513 binding 0.3021795345400813 activity 0.17288511267085335 novel 0.14813446619874399 protein 0.1475803472478759 silico 0.12153675655707426 vitro 0.11396379756187662 compound 0.09253786479497599 between 0.08200960472848172 drug 0.07979312892500924 promising 0.0759142962689324 inhibition 0.07332840783154784 therapeutic 0.07074251939416328 synthesis 0.06280014776505356 synthesized 0.05559660140376801 interaction 0.05522718876985593 treatment 0.025858884373845585 including 0.024750646472109346 potent 0.012375323236054673 stability 0.006095308459549317 development 0.0
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