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Application

Discovery Studio 1.0 Materials Studio 0.5853333333333334 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04194260485651214 Amorphous Cell 0.22737306843267108 Blends 0.0 CASTEP 0.22737306843267108 CDOCKER 0.2671081677704194 CHARMm 0.40618101545253865 COMPASS 0.26490066225165565 COMPASS III 0.07947019867549669 COSMObase 0.002207505518763797 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 0.0 COSMOquick 0.004415011037527594 COSMOtherm 0.05739514348785872 Catalyst 0.1390728476821192 Classical Simulations 1.0 Crystallization 0.04415011037527594 DFTB Plus 0.0 DMol3 0.1346578366445916 Discover 0.0 Forcite 0.434878587196468 GULP 0.008830022075055188 LUDI 0.006622516556291391 LibDock 0.10154525386313466 LigandFit 0.011037527593818985 MODELER 0.33774834437086093 Mesocite 0.0 Mesoscale 0.0 Morphology 0.008830022075055188 ONETEP 0.004415011037527594 Polymorph 0.0 Quantum Mechanics 0.3598233995584989 Reflex 0.03090507726269316 Reflex Plus 0.0 Semi-empirical 0.0 Sorption 0.04194260485651214 Visualization 0.8388520971302428 X-Cell 0.0 ZDOCK 0.03090507726269316

Year

2023 0.0 2024 0.6296900489396411 2025 1.0 2026 0.3735725938009788

Keywords

development 1.0 target 0.9465791940018744 potential 0.3683223992502343 docking 0.2717900656044986 novel 0.22211808809746955 analysis 0.1949390815370197 visualization 0.15745079662605435 promising 0.1330834114339269 between 0.09653233364573571 binding 0.07872539831302718 activity 0.07778819119025304 effective 0.04779756326148079 design 0.04311152764761012 including 0.03561387066541706 therapeutic 0.033739456419868794 protein 0.03280224929709466 cell 0.030927835051546393 stability 0.022492970946579195 drug 0.02155576382380506 synthesized 0.008434864104967198 compound 0.006560449859418931 performance 0.005623242736644799 mechanism 0.004686035613870665 inhibition 0.0 treatment 0.0
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