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Application

Discovery Studio 1.0 Materials Studio 0.4656084656084656 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07344632768361582 Amorphous Cell 0.2627118644067797 Blends 0.0014124293785310734 CASTEP 0.11440677966101695 CDOCKER 0.1977401129943503 CHARMm 0.4166666666666667 COMPASS 0.2937853107344633 COMPASS III 0.08898305084745763 COSMObase 0.002824858757062147 COSMOconf 0.00423728813559322 COSMOquick 0.0 COSMOtherm 0.05649717514124294 Catalyst 0.08333333333333333 Classical Simulations 1.0 Crystallization 0.03531073446327684 DFTB Plus 0.00423728813559322 DMol3 0.1059322033898305 Discover 0.0014124293785310734 Forcite 0.422316384180791 GULP 0.00847457627118644 LUDI 0.002824858757062147 LibDock 0.08898305084745763 LigandFit 0.0014124293785310734 MODELER 0.3502824858757062 MesoDyn 0.0 Mesocite 0.002824858757062147 Mesoscale 0.00423728813559322 Morphology 0.015536723163841809 ONETEP 0.0 Polymorph 0.0 QMERA 0.0 Quantum Mechanics 0.211864406779661 Reflex 0.01694915254237288 Semi-empirical 0.005649717514124294 Sorption 0.0480225988700565 Synthia 0.0 Visualization 0.7627118644067796 X-Cell 0.0 ZDOCK 0.05790960451977401

Year

2024 0.5005347593582887 2025 1.0 2026 0.4117647058823529 2027 0.0

Keywords

interaction 1.0 target 0.9212283044058746 docking 0.38985313751668893 between 0.3891855807743658 potential 0.3644859813084112 analysis 0.29973297730307075 binding 0.2376502002670227 visualization 0.16955941255006676 protein 0.08077436582109479 mechanism 0.0774365821094793 stability 0.07009345794392523 energy 0.06608811748998665 novel 0.06074766355140187 promising 0.06008010680907877 including 0.056074766355140186 cell 0.04739652870493992 strong 0.044058744993324434 therapeutic 0.042723631508678236 activity 0.04005340453938585 development 0.014018691588785047 effective 0.012016021361815754 complex 0.009345794392523364 drug 0.008678237650200267 silico 0.004672897196261682 stable 0.0
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