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Application

Discovery Studio 0.9185056472632493 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06324195985322685 Amorphous Cell 0.2857759551046838 Blends 0.0023742715303259228 CASTEP 0.33261385711202246 CDOCKER 0.16037124973019642 CHARMm 0.2546945823440535 COMPASS 0.34642780056119143 COMPASS III 0.10619469026548672 COSMObase 0.004964385927045111 COSMOconf 0.006691128858191237 COSMOmic 0.0 COSMOperm 4.316857327865314E-4 COSMOplex 2.158428663932657E-4 COSMOquick 8.633714655730628E-4 COSMOtherm 0.0673429743146989 Catalyst 0.07468163177206993 Classical Simulations 1.0 Conformers 4.316857327865314E-4 Crystallization 0.07187567450895747 DFTB Plus 0.004316857327865314 DMol3 0.1560543924023311 DPD 0.002158428663932657 Discover 0.004316857327865314 Forcite 0.5370170515864451 GULP 0.017914957910641054 Kinetix 2.158428663932657E-4 LUDI 0.004101014461472048 LibDock 0.06583207424994604 LigandFit 0.003669328728685517 MCSS 2.158428663932657E-4 MODELER 0.24303906755881718 MesoDyn 6.475285991797971E-4 Mesocite 0.0032376429958989855 Mesoscale 0.005827757392618174 Morphology 0.016404057845888192 ONETEP 0.0010792143319663286 Polymorph 0.002158428663932657 QMERA 2.158428663932657E-4 QSAR 6.475285991797971E-4 Quantum Mechanics 0.4804662205914095 Reflex 0.05180228793438377 Reflex Plus 4.316857327865314E-4 Semi-empirical 0.005827757392618174 Sorption 0.05827757392618174 Synthia 0.0010792143319663286 TURBOMOLE 4.316857327865314E-4 VAMP 8.633714655730628E-4 Visualization 0.6639326570256853 X-Cell 0.0017267429311461256 ZDOCK 0.028275415497517806

Year

2023 0.0 2024 0.34459228932105085 2025 1.0 2026 0.7053906516547254 2027 0.0017059024223814397

Keywords

target 1.0 potential 0.29905248589375066 analysis 0.21154050888959863 docking 0.20706909400617482 visualization 0.15192164377728096 between 0.14798254018950283 novel 0.09027999574150963 promising 0.08389226019376131 energy 0.0802725433833706 binding 0.066006600660066 cell 0.06558075162354945 performance 0.047269243053337594 activity 0.04066858298733099 stability 0.03928457361865219 including 0.020440753752794635 effective 0.018524433088470137 experimental 0.0165016501650165 enhanced 0.015862876610241668 synthesized 0.015117640796337699 development 0.01330778239114234 mechanism 0.01330778239114234 strong 0.013094857872884063 interaction 0.0035132545512615776 design 0.0023421697008410517 strategy 0.0
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