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Application

Discovery Studio 0.8072164948453608 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0657496977025393 Amorphous Cell 0.2897521160822249 Blends 0.0024183796856106408 CASTEP 0.37817412333736394 CDOCKER 0.14600967351874244 CHARMm 0.23367593712212817 COMPASS 0.3632103990326481 COMPASS III 0.10006045949214026 COSMObase 0.004685610640870617 COSMOconf 0.0048367593712212815 COSMOmic 1.5114873035066505E-4 COSMOperm 0.0012091898428053204 COSMOplex 1.5114873035066505E-4 COSMOquick 0.0016626360338573155 COSMOtherm 0.0657496977025393 Catalyst 0.08222490931076179 Classical Simulations 1.0 Conformers 7.557436517533253E-4 Crystallization 0.07557436517533253 DFTB Plus 0.004081015719467957 DMol3 0.17079806529625152 DPD 0.002569528415961306 Discover 0.0036275695284159614 Forcite 0.5509371221281741 GULP 0.023730350665054415 Kinetix 1.5114873035066505E-4 LUDI 0.002720677146311971 LibDock 0.06030834340991536 LigandFit 0.003325272067714631 MCSS 0.0 MODELER 0.2037484885126965 MesoDyn 9.068923821039903E-4 Mesocite 0.003476420798065296 Mesoscale 0.006650544135429262 Modules 0.0 Morphology 0.017835550181378477 ONETEP 9.068923821039903E-4 Polymorph 0.0019649334945586456 QMERA 1.5114873035066505E-4 QSAR 9.068923821039903E-4 Quantum Mechanics 0.5374848851269649 Reflex 0.05501813784764208 Reflex Plus 0.0010580411124546554 Semi-empirical 0.005743651753325272 Sorption 0.058645707376058044 Synthia 0.0013603385731559856 TURBOMOLE 1.5114873035066505E-4 VAMP 0.0012091898428053204 Visualization 0.6609733978234583 X-Cell 0.0016626360338573155 ZDOCK 0.023276904474002418

Year

2023 0.10369850187265918 2024 0.4018024344569288 2025 1.0 2026 0.4955524344569288 2027 0.0

Keywords

target 1.0 potential 0.285453216374269 analysis 0.19956140350877194 docking 0.18691520467836256 between 0.15687134502923977 visualization 0.15679824561403508 energy 0.10124269005847954 novel 0.09517543859649123 promising 0.0763888888888889 cell 0.07178362573099416 binding 0.059722222222222225 performance 0.056432748538011696 stability 0.04722222222222222 activity 0.03823099415204678 experimental 0.032017543859649125 including 0.0222953216374269 interaction 0.022149122807017543 effective 0.022002923976608187 synthesized 0.020029239766081872 mechanism 0.01878654970760234 development 0.017251461988304094 enhanced 0.014108187134502924 design 0.005994152046783626 strong 0.0027046783625730994 synthesis 0.0
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