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Application

Discovery Studio 0.7073365231259968 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06806806806806807 Amorphous Cell 0.33783783783783783 Blends 0.002002002002002002 CASTEP 0.31681681681681684 CDOCKER 0.11661661661661661 CHARMm 0.2062062062062062 COMPASS 0.3958958958958959 COMPASS III 0.1001001001001001 COSMObase 5.005005005005005E-4 COSMOconf 0.003003003003003003 COSMOmic 0.0 COSMOperm 5.005005005005005E-4 COSMOplex 0.0 COSMOquick 0.0 COSMOtherm 0.05105105105105105 Catalyst 0.046546546546546545 Classical Simulations 1.0 Crystallization 0.04954954954954955 DFTB Plus 0.0025025025025025025 DMol3 0.16066066066066065 DPD 0.002002002002002002 Discover 0.0045045045045045045 Forcite 0.5780780780780781 GULP 0.025525525525525526 LUDI 0.001001001001001001 LibDock 0.05005005005005005 LigandFit 0.001001001001001001 MODELER 0.2107107107107107 MesoDyn 0.001001001001001001 Mesocite 0.002002002002002002 Mesoscale 0.0055055055055055055 Modules 0.0 Morphology 0.01701701701701702 ONETEP 0.0015015015015015015 Polymorph 5.005005005005005E-4 QMERA 5.005005005005005E-4 QSAR 5.005005005005005E-4 Quantum Mechanics 0.46596596596596596 Reflex 0.03053053053053053 Reflex Plus 0.0 Semi-empirical 0.0035035035035035035 Sorption 0.05805805805805806 Synthia 5.005005005005005E-4 Visualization 0.513013013013013 X-Cell 0.0 ZDOCK 0.02952952952952953

Year

2023 0.02037351443123939 2024 0.43081494057724956 2025 1.0 2026 0.49830220713073003 2027 0.0

Keywords

between 1.0 target 0.9231744421906694 potential 0.2484787018255578 analysis 0.20740365111561865 docking 0.18559837728194725 interaction 0.17723123732251522 energy 0.11536511156186613 visualization 0.09634888438133875 cell 0.08417849898580122 binding 0.08088235294117647 performance 0.0763184584178499 mechanism 0.0631338742393509 stability 0.0552738336713996 novel 0.053245436105476676 experimental 0.05273833671399594 strong 0.03321501014198783 promising 0.02915821501014199 enhanced 0.028397565922920892 effective 0.014198782961460446 amorphous 0.012170385395537525 including 0.007352941176470588 activity 0.005578093306288032 development 0.002535496957403651 role 0.0012677484787018255 protein 0.0
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