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Application

Discovery Studio 0.8774163496622933 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06886538062642605 Amorphous Cell 0.28541796307819955 Blends 0.002489110143123833 CASTEP 0.39141257000622276 CDOCKER 0.15131715411740304 CHARMm 0.23905828666251816 COMPASS 0.36911429164073845 COMPASS III 0.0864965774735532 COSMObase 0.0038373781373159097 COSMOconf 0.0043559427504667085 COSMOmic 2.0742584526031943E-4 COSMOperm 0.0013482679941920763 COSMOplex 3.1113876789047915E-4 COSMOquick 0.0015556938394523958 COSMOtherm 0.06399087326280854 Cantera 0.0 Catalyst 0.10340178386226924 Classical Simulations 1.0 Conformers 9.334163036714375E-4 Crystallization 0.07508815598423564 DFTB Plus 0.005600497822028625 DMol3 0.17931964322754615 DPD 0.0026965359883841526 Discover 0.0036299522920555903 Forcite 0.5492636382493259 GULP 0.024891101431238332 Kinetix 3.1113876789047915E-4 LUDI 0.00394109105994607 LibDock 0.0640945861854387 LigandFit 0.0045633685957270275 MCSS 6.222775357809583E-4 MODELER 0.18657954781165734 MesoDyn 0.001451980916822236 Mesocite 0.00394109105994607 Mesoscale 0.007259904584111181 Modules 0.0 Morphology 0.017423771001866834 ONETEP 0.0010371292263015972 Polymorph 0.001866832607342875 QMERA 2.0742584526031943E-4 QSAR 9.334163036714375E-4 Quantum Mechanics 0.5594275046670815 Reflex 0.05507156191661481 Reflex Plus 9.334163036714375E-4 Semi-empirical 0.00736361750674134 Sorption 0.05787181082762912 Synthia 0.0015556938394523958 TURBOMOLE 6.222775357809583E-4 VAMP 0.0013482679941920763 Visualization 0.7503629952292056 X-Cell 0.0013482679941920763 ZDOCK 0.02572080481227961

Year

2022 0.057548845470692715 2023 0.24733570159857904 2024 0.6307282415630551 2025 1.0 2026 0.3775310834813499 2027 0.0

Keywords

target 1.0 potential 0.2776336274001038 docking 0.1997452469689107 analysis 0.1904986554701137 visualization 0.1817238288437043 between 0.15893758550738313 novel 0.09841015238005378 energy 0.09510779827334057 cell 0.06538661131292164 binding 0.06118790394867198 promising 0.060008491767702975 activity 0.04444025097891211 performance 0.038496013586828325 stability 0.038496013586828325 experimental 0.0325989526819833 interaction 0.03255177619474454 synthesized 0.027032127187809597 effective 0.020238713025428127 mechanism 0.019012124357220363 including 0.01863471245931028 development 0.018068594612445157 protein 0.008397414728499315 synthesis 0.00717082606029155 design 0.0017927065150728876 enhanced 0.0
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