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Application

Discovery Studio 1.0 Materials Studio 0.5654761904761905 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05536912751677853 Amorphous Cell 0.200503355704698 Blends 0.0 CASTEP 0.28859060402684567 CDOCKER 0.34060402684563756 CHARMm 0.41191275167785235 COMPASS 0.30033557046979864 COMPASS III 0.07466442953020135 COSMObase 0.0025167785234899327 COSMOperm 0.0 COSMOquick 0.0025167785234899327 COSMOtherm 0.040268456375838924 Catalyst 0.21224832214765102 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.04949664429530201 DFTB Plus 0.0 DMol3 0.13506711409395974 DPD 0.0016778523489932886 Discover 0.0 Forcite 0.4278523489932886 GULP 0.006711409395973154 LUDI 0.008389261744966443 LibDock 0.11996644295302013 LigandFit 0.009228187919463088 MCSS 8.389261744966443E-4 MODELER 0.375 MesoDyn 0.0 Mesocite 0.0016778523489932886 Mesoscale 0.0041946308724832215 Morphology 0.007550335570469799 ONETEP 0.0 Polymorph 0.003355704697986577 QSAR 0.0 Quantum Mechanics 0.4186241610738255 Reflex 0.037751677852348994 Reflex Plus 0.0 Semi-empirical 0.0 Sorption 0.026845637583892617 Synthia 0.0 Visualization 0.8540268456375839 X-Cell 8.389261744966443E-4 ZDOCK 0.03523489932885906

Year

2023 0.02203116603976357 2024 0.5948414830736163 2025 1.0 2026 0.30360021493820527 2027 0.0

Keywords

novel 1.0 target 0.946747556454331 potential 0.367711493090664 docking 0.3009774182676104 analysis 0.17593528816986856 visualization 0.14054600606673406 promising 0.1381867205931918 synthesized 0.12369396697000337 development 0.09369733737782272 binding 0.08998988877654196 activity 0.0839231547017189 synthesis 0.07819346140883048 between 0.0717896865520728 compound 0.057971014492753624 therapeutic 0.027637344118638354 effective 0.02561509942703067 stability 0.02055948769801146 design 0.01314459049544995 cell 0.011122345803842264 protein 0.008088978766430738 vitro 0.0064037748567576675 inhibition 0.0023592854735422987 drug 0.0020222446916076846 including 0.0013481631277384564 potent 0.0
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