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Application

Discovery Studio 0.8418024928092043 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0625 Amorphous Cell 0.28918269230769234 Blends 0.002403846153846154 CASTEP 0.3310096153846154 CDOCKER 0.1502403846153846 CHARMm 0.24375 COMPASS 0.35216346153846156 COMPASS III 0.10841346153846154 COSMObase 0.005288461538461539 COSMOconf 0.006009615384615385 COSMOmic 0.0 COSMOperm 4.807692307692308E-4 COSMOplex 2.403846153846154E-4 COSMOquick 0.0014423076923076924 COSMOtherm 0.0673076923076923 Catalyst 0.06802884615384615 Classical Simulations 1.0 Conformers 4.807692307692308E-4 Crystallization 0.07572115384615384 DFTB Plus 0.003605769230769231 DMol3 0.15625 DPD 0.0026442307692307694 Discover 0.0045673076923076926 Forcite 0.5403846153846154 GULP 0.019471153846153846 Kinetix 0.0 LUDI 0.003605769230769231 LibDock 0.06129807692307692 LigandFit 0.0028846153846153848 MODELER 0.2283653846153846 MesoDyn 4.807692307692308E-4 Mesocite 0.0028846153846153848 Mesoscale 0.0057692307692307696 Modules 0.0 Morphology 0.017788461538461538 ONETEP 7.211538461538462E-4 Polymorph 0.0021634615384615386 QMERA 2.403846153846154E-4 QSAR 4.807692307692308E-4 Quantum Mechanics 0.4778846153846154 Reflex 0.05480769230769231 Reflex Plus 7.211538461538462E-4 Semi-empirical 0.005288461538461539 Sorption 0.057692307692307696 Synthia 9.615384615384616E-4 TURBOMOLE 0.0 VAMP 9.615384615384616E-4 Visualization 0.6223557692307692 X-Cell 0.0014423076923076924 ZDOCK 0.025

Year

2024 0.2129735935706085 2025 1.0 2026 0.7870264064293915 2027 0.0

Keywords

target 1.0 potential 0.29413955798361063 analysis 0.21095108020859202 docking 0.19282344176806557 between 0.14936677427365283 visualization 0.13993046933200895 energy 0.08666501117457164 promising 0.0854233921033027 novel 0.08331263968214551 cell 0.06804072510553762 binding 0.06021852495654333 performance 0.051030543829153216 stability 0.04345666749441272 activity 0.033027067295753665 including 0.020486714675937424 enhanced 0.017755152719145767 strong 0.01750682890489198 effective 0.015892724112242365 experimental 0.011422895455674199 development 0.010553762105785945 synthesized 0.008691333498882544 mechanism 0.006580581077725354 strategy 0.005214800099329526 design 0.0011174571641420412 interaction 0.0
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