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Application

Discovery Studio 1.0 Materials Studio 0.986442423202334 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05922023182297155 Amorphous Cell 0.27713382507903056 Blends 0.0025289778714436247 CASTEP 0.32771338250790305 CDOCKER 0.17070600632244468 CHARMm 0.27291886195995785 COMPASS 0.3380400421496312 COMPASS III 0.1053740779768177 COSMObase 0.004847207586933615 COSMOconf 0.005900948366701791 COSMOmic 0.0 COSMOperm 4.2149631190727084E-4 COSMOplex 2.1074815595363542E-4 COSMOquick 8.429926238145417E-4 COSMOtherm 0.0642781875658588 Catalyst 0.08113804004214963 Classical Simulations 1.0 Conformers 4.2149631190727084E-4 Crystallization 0.07249736564805058 DFTB Plus 0.004004214963119073 DMol3 0.14899894625922022 DPD 0.0023182297154899895 Discover 0.004214963119072708 Forcite 0.5232876712328767 GULP 0.017070600632244467 Kinetix 2.1074815595363542E-4 LUDI 0.004004214963119073 LibDock 0.07186512118018967 LigandFit 0.004214963119072708 MCSS 2.1074815595363542E-4 MODELER 0.2547945205479452 MesoDyn 6.322444678609062E-4 Mesocite 0.0029504741833508955 Mesoscale 0.005690200210748156 Modules 0.0 Morphology 0.01643835616438356 ONETEP 8.429926238145417E-4 Polymorph 0.0023182297154899895 QMERA 2.1074815595363542E-4 QSAR 4.2149631190727084E-4 Quantum Mechanics 0.4678609062170706 Reflex 0.05247629083245522 Reflex Plus 8.429926238145417E-4 Semi-empirical 0.005690200210748156 Sorption 0.057534246575342465 Synthia 0.001053740779768177 TURBOMOLE 2.1074815595363542E-4 VAMP 0.001053740779768177 Visualization 0.7041095890410959 X-Cell 0.0012644889357218123 ZDOCK 0.02887249736564805

Year

2023 0.0 2024 0.43322475570032576 2025 1.0 2026 0.711983541916681 2027 0.001028630207440425

Keywords

target 1.0 potential 0.30583807973962573 docking 0.22599674532139952 analysis 0.21938567941415785 visualization 0.16649715215622457 between 0.14656224572823434 novel 0.09641985353946297 promising 0.09001220504475183 binding 0.07689178193653377 energy 0.07495931651749389 cell 0.06285598047192839 activity 0.04983726606997559 stability 0.0428193653376729 performance 0.03885272579332791 including 0.024410089503661515 development 0.018510984540276647 synthesized 0.01790073230268511 effective 0.017697314890154598 mechanism 0.01708706265256306 experimental 0.015052888527257934 enhanced 0.012510170870626525 strong 0.010679414157851912 interaction 0.01017087062652563 protein 0.0040683482506102524 design 0.0
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