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Application

Discovery Studio 1.0 Materials Studio 0.6451760402377686 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08300653594771241 Amorphous Cell 0.3111111111111111 Blends 0.00261437908496732 CASTEP 0.14444444444444443 CDOCKER 0.16405228758169935 CHARMm 0.32483660130718955 COMPASS 0.36470588235294116 COMPASS III 0.07058823529411765 COSMObase 0.00196078431372549 COSMOconf 0.00392156862745098 COSMOmic 0.0 COSMOperm 6.5359477124183E-4 COSMOquick 0.00130718954248366 COSMOtherm 0.05032679738562092 Catalyst 0.09542483660130718 Classical Simulations 1.0 Crystallization 0.04183006535947712 DFTB Plus 0.009150326797385621 DMol3 0.13333333333333333 DPD 0.00261437908496732 Discover 0.00261437908496732 Forcite 0.5111111111111111 GULP 0.011111111111111112 LUDI 0.00392156862745098 LibDock 0.07124183006535947 LigandFit 6.5359477124183E-4 MODELER 0.24836601307189543 MesoDyn 6.5359477124183E-4 Mesocite 0.006535947712418301 Mesoscale 0.00849673202614379 Morphology 0.016339869281045753 ONETEP 0.00196078431372549 Polymorph 6.5359477124183E-4 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.2647058823529412 Reflex 0.024183006535947713 Reflex Plus 0.0 Semi-empirical 0.011111111111111112 Sorption 0.0542483660130719 Synthia 0.00130718954248366 TURBOMOLE 0.0 VAMP 6.5359477124183E-4 Visualization 0.8026143790849674 X-Cell 0.0 ZDOCK 0.05163398692810457

Year

2023 0.3272394881170018 2024 0.765386959171237 2025 1.0 2026 0.24436319317489336 2027 0.0

Keywords

interaction 1.0 target 0.9431643625192012 between 0.4258064516129032 docking 0.33425499231950845 potential 0.31459293394777266 analysis 0.2761904761904762 binding 0.20430107526881722 visualization 0.20153609831029187 energy 0.10506912442396313 mechanism 0.09554531490015361 protein 0.0847926267281106 cell 0.06820276497695853 stability 0.05622119815668203 novel 0.053456221198156684 activity 0.03778801843317972 experimental 0.0325652841781874 including 0.030414746543778803 strong 0.02304147465437788 promising 0.01935483870967742 development 0.017204301075268817 complex 0.015053763440860216 drug 0.014439324116743472 effective 0.012903225806451613 therapeutic 0.002457757296466974 role 0.0
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