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Application

Discovery Studio 0.8060416282925033 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06355140186915888 Amorphous Cell 0.29415887850467287 Blends 0.002336448598130841 CASTEP 0.3401869158878505 CDOCKER 0.14626168224299066 CHARMm 0.2371495327102804 COMPASS 0.3516355140186916 COMPASS III 0.11191588785046729 COSMObase 0.005607476635514018 COSMOconf 0.0065420560747663555 COSMOmic 0.0 COSMOperm 4.6728971962616824E-4 COSMOplex 2.3364485981308412E-4 COSMOquick 0.0011682242990654205 COSMOtherm 0.06962616822429907 Catalyst 0.0661214953271028 Classical Simulations 1.0 Conformers 4.6728971962616824E-4 Crystallization 0.075 DFTB Plus 0.0030373831775700934 DMol3 0.15841121495327104 DPD 0.0025700934579439253 Discover 0.004672897196261682 Forcite 0.5497663551401869 GULP 0.01822429906542056 Kinetix 2.3364485981308412E-4 LUDI 0.0035046728971962616 LibDock 0.05957943925233645 LigandFit 0.002803738317757009 MODELER 0.2219626168224299 MesoDyn 7.009345794392523E-4 Mesocite 0.0032710280373831778 Mesoscale 0.006308411214953271 Morphology 0.016588785046728973 ONETEP 9.345794392523365E-4 Polymorph 0.002102803738317757 QMERA 2.3364485981308412E-4 QSAR 7.009345794392523E-4 Quantum Mechanics 0.489018691588785 Reflex 0.054672897196261686 Reflex Plus 7.009345794392523E-4 Semi-empirical 0.004672897196261682 Sorption 0.058644859813084114 Synthia 0.0011682242990654205 TURBOMOLE 0.0 VAMP 9.345794392523365E-4 Visualization 0.6077102803738318 X-Cell 0.0016355140186915889 ZDOCK 0.024299065420560748

Year

2024 0.20537357379462642 2025 1.0 2026 0.7651821862348178 2027 0.0

Keywords

target 1.0 potential 0.2894927536231884 analysis 0.2071256038647343 docking 0.18321256038647343 between 0.14842995169082127 visualization 0.13345410628019325 energy 0.08961352657004831 promising 0.0823671497584541 novel 0.08067632850241546 cell 0.06908212560386473 performance 0.058091787439613525 binding 0.05519323671497584 stability 0.043478260869565216 activity 0.02741545893719807 enhanced 0.020289855072463767 including 0.018719806763285024 experimental 0.017028985507246377 strong 0.01606280193236715 effective 0.013888888888888888 mechanism 0.00857487922705314 synthesized 0.00821256038647343 development 0.00748792270531401 strategy 0.006400966183574879 design 0.002536231884057971 interaction 0.0
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