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Application

Discovery Studio 1.0 Materials Studio 0.7943661971830986 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05398457583547558 Amorphous Cell 0.2814910025706941 Blends 0.0012853470437017994 CASTEP 0.2583547557840617 CDOCKER 0.1953727506426735 CHARMm 0.31233933161953725 COMPASS 0.30719794344473006 COMPASS III 0.12596401028277635 COSMObase 0.002570694087403599 COSMOconf 0.005141388174807198 COSMOperm 0.0 COSMOtherm 0.05141388174807198 Catalyst 0.07840616966580977 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06940874035989718 DFTB Plus 0.0 DMol3 0.09897172236503857 DPD 0.0038560411311053984 Discover 0.007712082262210797 Forcite 0.4974293059125964 GULP 0.0038560411311053984 LUDI 0.0 LibDock 0.06683804627249357 LigandFit 0.0038560411311053984 MODELER 0.25578406169665807 Mesocite 0.005141388174807198 Mesoscale 0.007712082262210797 Morphology 0.014138817480719794 ONETEP 0.0 Polymorph 0.0012853470437017994 Quantum Mechanics 0.35475578406169667 Reflex 0.05141388174807198 Reflex Plus 0.0 Semi-empirical 0.0 Sorption 0.055269922879177376 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.7930591259640103 X-Cell 0.0 ZDOCK 0.032133676092544985

Year

2025 1.0 2026 0.8452488687782805 2027 0.0

Keywords

target 1.0 potential 0.3184392699811202 docking 0.26557583385777217 analysis 0.22844556324732537 visualization 0.20516047828823158 between 0.11327879169288861 binding 0.10824417872876023 promising 0.09062303335431089 novel 0.07803650094398994 activity 0.0736312146003776 cell 0.05223410950283197 energy 0.045311516677155446 strong 0.0446821900566394 stability 0.03524229074889868 including 0.033983637507866586 therapeutic 0.02391441157960982 performance 0.022026431718061675 mechanism 0.016991818753933293 development 0.013845185651353053 effective 0.012586532410320957 enhanced 0.008181246066708621 strategy 0.004405286343612335 interaction 0.0031466331025802393 protein 0.0 synthesized 0.0
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