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Application

Discovery Studio 0.988430583501006 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06074766355140187 Amorphous Cell 0.26985981308411217 Blends 0.0017523364485981308 CASTEP 0.28796728971962615 CDOCKER 0.1641355140186916 CHARMm 0.2669392523364486 COMPASS 0.3282710280373832 COMPASS III 0.12558411214953272 COSMObase 0.0040887850467289715 COSMOconf 0.008761682242990653 COSMOmic 0.0 COSMOperm 5.841121495327102E-4 COSMOplex 5.841121495327102E-4 COSMOtherm 0.07184579439252337 Catalyst 0.07768691588785047 Classical Simulations 1.0 Conformers 5.841121495327102E-4 Crystallization 0.07885514018691589 DFTB Plus 0.0040887850467289715 DMol3 0.13376168224299065 DPD 0.0017523364485981308 Discover 0.002336448598130841 Forcite 0.5227803738317757 GULP 0.014602803738317757 Kinetix 0.0 LUDI 0.0017523364485981308 LibDock 0.06717289719626168 LigandFit 0.002336448598130841 MODELER 0.23656542056074767 Mesocite 0.0035046728971962616 Mesoscale 0.004672897196261682 Morphology 0.018691588785046728 ONETEP 0.0011682242990654205 Polymorph 0.0017523364485981308 Quantum Mechanics 0.41764018691588783 Reflex 0.056074766355140186 Reflex Plus 0.0 Semi-empirical 0.005257009345794392 Sorption 0.06191588785046729 Synthia 0.0011682242990654205 TURBOMOLE 0.0 VAMP 5.841121495327102E-4 Visualization 0.6629672897196262 X-Cell 5.841121495327102E-4 ZDOCK 0.026869158878504672

Year

2025 0.9294642857142857 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.28254477412456563 docking 0.19860999732691795 analysis 0.19647153167602247 visualization 0.14461373964180702 between 0.11333867949746057 promising 0.09409248863940123 novel 0.08420208500400962 binding 0.07350975674953221 energy 0.06415396952686447 cell 0.057203956161454156 activity 0.04945201817695803 performance 0.04330392943063352 stability 0.03875968992248062 strong 0.0363539160652232 including 0.03314621758887998 strategy 0.026463512429831595 mechanism 0.024325046778936113 development 0.02165196471531676 enhanced 0.019780807270783213 effective 0.0181769580326116 therapeutic 0.016840417000801924 synthesized 0.010157711841753542 design 0.008821170809943865 experimental 0.0
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