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Application

Discovery Studio 1.0 Materials Studio 0.16933158584534733 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.016875602700096432 Amorphous Cell 0.03037608486017358 CASTEP 0.09064609450337512 CDOCKER 0.2536162005785921 CHARMm 0.33365477338476374 COMPASS 0.05255544840887175 COMPASS III 0.01591128254580521 COSMObase 0.0014464802314368371 COSMOconf 0.0019286403085824494 COSMOtherm 0.02266152362584378 Catalyst 0.1721311475409836 Classical Simulations 0.45274831243973 Conformers 0.0 Crystallization 0.019768563162970106 DFTB Plus 0.0 DMol3 0.10318225650916105 DPD 0.0 Discover 0.0 Forcite 0.08389585342333655 GULP 0.0024108003857280617 LUDI 0.0019286403085824494 LibDock 0.10270009643201543 LigandFit 0.007714561234329798 MCSS 4.8216007714561236E-4 MODELER 0.2729026036644166 MesoDyn 0.0 Mesocite 4.8216007714561236E-4 Mesoscale 9.643201542912247E-4 Morphology 0.0024108003857280617 QMERA 4.8216007714561236E-4 QSAR 4.8216007714561236E-4 Quantum Mechanics 0.18997107039537126 Reflex 0.017357762777242044 Semi-empirical 0.0014464802314368371 Sorption 0.00626808100289296 VAMP 0.0 Visualization 1.0 ZDOCK 0.03278688524590164

Year

2022 0.0 2023 0.6560814859197124 2024 1.0 2025 0.889754343918514 2026 0.11024565608148593

Keywords

activity 1.0 target 0.9624437979370537 docking 0.47077492726791853 potential 0.3906373975138852 visualization 0.3324517323459402 analysis 0.22454377148902407 binding 0.15339857180640043 novel 0.15101824914043904 vitro 0.11637133033588998 compound 0.08833641893678922 inhibition 0.0841047341973023 promising 0.08198889182755885 synthesized 0.07722824649563607 silico 0.07564136471832848 synthesis 0.07484792382967469 protein 0.07273208145993124 between 0.04813541391166358 potent 0.026183549325575244 treatment 0.021687384289870406 active 0.01507537688442211 development 0.014546416291986247 drug 0.01190161332980693 therapeutic 0.005554086220576567 effective 0.0023803226659613857 interaction 0.0
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