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Application

Discovery Studio 1.0 Materials Studio 0.3483450895279436 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.055315471045808126 Amorphous Cell 0.05445116681071737 CASTEP 0.15384615384615385 CDOCKER 0.17026793431287812 CHARMm 0.2394122731201383 COMPASS 0.11840968020743302 COMPASS III 0.03111495246326707 COSMObase 0.0 COSMOperm 8.64304235090752E-4 COSMOquick 0.0 COSMOtherm 0.01901469317199654 Catalyst 0.2445980985306828 Classical Simulations 0.5185825410544511 Conformers 0.0 Crystallization 0.056179775280898875 DFTB Plus 0.001728608470181504 DMol3 0.0898876404494382 DPD 0.0 Discover 0.001728608470181504 Forcite 0.18323249783923942 GULP 0.005185825410544511 Kinetix 0.0 LUDI 0.005185825410544511 LibDock 0.058772687986171135 LigandFit 0.003457216940363008 MCSS 8.64304235090752E-4 MODELER 0.12359550561797752 MesoDyn 0.0 Mesocite 0.0 Mesoscale 8.64304235090752E-4 Morphology 0.006050129645635264 QSAR 0.0 Quantum Mechanics 0.24027657735522903 Reflex 0.05099394987035436 Semi-empirical 0.001728608470181504 Sorption 0.019878997407087293 Visualization 1.0 ZDOCK 0.007778738115816767

Year

2021 0.0491283676703645 2022 0.3676703645007924 2023 0.5118858954041204 2024 1.0 2025 0.8446909667194928 2026 0.0

Keywords

synthesis 1.0 target 0.9719926538108357 docking 0.45775941230486683 synthesized 0.418732782369146 visualization 0.3562901744719926 potential 0.29292929292929293 novel 0.26400367309458217 compound 0.20477502295684114 activity 0.1763085399449036 analysis 0.16345270890725436 design 0.1487603305785124 binding 0.10376492194674013 promising 0.09550045913682277 vitro 0.09228650137741047 inhibition 0.0881542699724518 potent 0.0775941230486685 between 0.05785123966942149 silico 0.04499540863177227 active 0.03627180899908173 effective 0.018365472910927456 designed 0.01652892561983471 drug 0.014692378328741965 protein 0.012396694214876033 evaluation 0.004132231404958678 catalyst 0.0
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