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Application

Discovery Studio 0.637444279346211 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.03345724907063197 Amorphous Cell 0.3271375464684015 CASTEP 0.31970260223048325 CDOCKER 0.13197026022304834 CHARMm 0.23234200743494424 COMPASS 0.3847583643122677 COMPASS III 0.10966542750929369 COSMObase 0.013011152416356878 COSMOconf 0.0037174721189591076 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.10594795539033457 Catalyst 0.16728624535315986 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.09107806691449814 DFTB Plus 0.0037174721189591076 DMol3 0.19144981412639406 DPD 0.0 Discover 0.0037174721189591076 Forcite 0.570631970260223 GULP 0.011152416356877323 LUDI 0.007434944237918215 LibDock 0.046468401486988845 LigandFit 0.0018587360594795538 MCSS 0.0 MODELER 0.13940520446096655 Mesocite 0.0018587360594795538 Mesoscale 0.0037174721189591076 Morphology 0.022304832713754646 ONETEP 0.0 Polymorph 0.0 QMERA 0.0 QSAR 0.0018587360594795538 Quantum Mechanics 0.5092936802973977 Reflex 0.06319702602230483 Reflex Plus 0.0018587360594795538 Semi-empirical 0.011152416356877323 Sorption 0.05204460966542751 VAMP 0.0037174721189591076 Visualization 0.4312267657992565 ZDOCK 0.016728624535315983

Year

2023 0.022764227642276424 2024 0.45203252032520325 2025 1.0 2026 0.5983739837398374 2027 0.0

Keywords

design 1.0 target 0.926605504587156 potential 0.20642201834862386 synthesis 0.1651376146788991 novel 0.163302752293578 between 0.13119266055045872 performance 0.12660550458715597 docking 0.12110091743119267 analysis 0.11467889908256881 synthesized 0.11467889908256881 energy 0.10642201834862386 cell 0.08990825688073395 promising 0.08807339449541285 development 0.06972477064220184 activity 0.06422018348623854 designed 0.05137614678899083 visualization 0.044036697247706424 strategy 0.03944954128440367 stability 0.03761467889908257 compound 0.03394495412844037 effective 0.022018348623853212 enhanced 0.022018348623853212 binding 0.012844036697247707 experimental 9.174311926605505E-4 including 0.0
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