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Application

Discovery Studio 1.0 Materials Studio 0.5672804532577904 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06415620641562064 Amorphous Cell 0.1701534170153417 Blends 0.0 CASTEP 0.3612273361227336 CDOCKER 0.3417015341701534 CHARMm 0.4351464435146444 COMPASS 0.28870292887029286 COMPASS III 0.06276150627615062 COSMObase 0.0 COSMOconf 0.0 COSMOquick 0.001394700139470014 COSMOtherm 0.03486750348675035 Catalyst 0.26638772663877264 Classical Simulations 1.0 Crystallization 0.05578800557880056 DMol3 0.14225941422594143 DPD 0.001394700139470014 Discover 0.0 Forcite 0.4072524407252441 GULP 0.008368200836820083 LUDI 0.011157601115760111 LibDock 0.11576011157601115 LigandFit 0.005578800557880056 MCSS 0.001394700139470014 MODELER 0.3403068340306834 MesoDyn 0.0 Mesocite 0.0 Mesoscale 0.0041841004184100415 Morphology 0.009762900976290097 ONETEP 0.0 QSAR 0.001394700139470014 Quantum Mechanics 0.496513249651325 Reflex 0.043235704323570434 Reflex Plus 0.0 Sorption 0.019525801952580194 Visualization 0.9860529986052998 ZDOCK 0.030683403068340307

Year

2023 0.0 2024 0.5983112183353438 2025 1.0 2026 0.05186972255729795

Keywords

novel 1.0 target 0.9479979199167967 potential 0.3458138325533021 docking 0.30525221008840353 analysis 0.1794071762870515 visualization 0.1752470098803952 synthesized 0.1456058242329693 promising 0.12116484659386376 synthesis 0.1060842433697348 activity 0.09776391055642225 compound 0.07904316172646905 between 0.078003120124805 development 0.07748309932397296 binding 0.0748829953198128 design 0.030681227249089962 stability 0.0234009360374415 effective 0.01768070722828913 vitro 0.015600624024960999 protein 0.013000520020800831 therapeutic 0.0124804992199688 drug 0.0062402496099844 inhibition 0.005200208008320333 potent 0.0046801872074883 treatment 5.200208008320333E-4 cell 0.0
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