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Application

Discovery Studio 0.8325571549534293 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06246648793565684 Amorphous Cell 0.2903485254691689 Blends 0.0018766756032171583 CASTEP 0.3412868632707775 CDOCKER 0.14986595174262735 CHARMm 0.23780160857908847 COMPASS 0.3485254691689008 COMPASS III 0.11206434316353887 COSMObase 0.005093833780160858 COSMOconf 0.006702412868632708 COSMOmic 0.0 COSMOperm 5.361930294906167E-4 COSMOplex 2.6809651474530834E-4 COSMOquick 5.361930294906167E-4 COSMOtherm 0.06890080428954423 Catalyst 0.07024128686327077 Classical Simulations 1.0 Conformers 5.361930294906167E-4 Crystallization 0.07694369973190349 DFTB Plus 0.002680965147453083 DMol3 0.1549597855227882 DPD 0.0021447721179624667 Discover 0.004289544235924933 Forcite 0.5493297587131367 GULP 0.017158176943699734 Kinetix 2.6809651474530834E-4 LUDI 0.003485254691689008 LibDock 0.06058981233243968 LigandFit 0.0037533512064343165 MCSS 0.0 MODELER 0.22117962466487937 MesoDyn 0.0 Mesocite 0.0032171581769436996 Mesoscale 0.005361930294906166 Morphology 0.01742627345844504 ONETEP 0.0010723860589812334 Polymorph 0.0021447721179624667 QMERA 2.6809651474530834E-4 QSAR 5.361930294906167E-4 Quantum Mechanics 0.4879356568364611 Reflex 0.055764075067024126 Reflex Plus 5.361930294906167E-4 Semi-empirical 0.004557640750670241 Sorption 0.06166219839142091 Synthia 0.0010723860589812334 TURBOMOLE 0.0 VAMP 0.0010723860589812334 Visualization 0.6262734584450402 X-Cell 0.0018766756032171583 ZDOCK 0.024664879356568366

Year

2024 0.2218791354212616 2025 1.0 2026 0.8575209528010587 2027 0.0

Keywords

target 1.0 potential 0.2950864671973648 analysis 0.21246225638210267 docking 0.19338457315399396 visualization 0.1454844908042822 between 0.14520999176502883 energy 0.09223167718912983 promising 0.0896239363162229 novel 0.08715344496294262 cell 0.06958550645072742 performance 0.06217403239088663 binding 0.060801537194619816 stability 0.04721383475157837 activity 0.03678287125995059 enhanced 0.026351907768322812 experimental 0.026214658248696128 including 0.024979412572056 strong 0.022234422179522373 synthesized 0.017979687071095252 effective 0.017430688992588525 mechanism 0.01660719187482844 strategy 0.014960197639308262 development 0.013175953884161406 design 0.008097721657974196 interaction 0.0
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