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Application

Discovery Studio 0.9124401913875598 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06394422310756973 Amorphous Cell 0.2846613545816733 Blends 0.00199203187250996 CASTEP 0.34143426294820717 CDOCKER 0.15876494023904383 CHARMm 0.2547808764940239 COMPASS 0.3426294820717131 COMPASS III 0.10717131474103586 COSMObase 0.004780876494023904 COSMOconf 0.0061752988047808766 COSMOmic 0.0 COSMOperm 3.9840637450199205E-4 COSMOplex 1.9920318725099602E-4 COSMOquick 0.001195219123505976 COSMOtherm 0.06673306772908366 Catalyst 0.07410358565737052 Classical Simulations 1.0 Conformers 3.9840637450199205E-4 Crystallization 0.07250996015936255 DFTB Plus 0.0035856573705179283 DMol3 0.1551792828685259 DPD 0.0021912350597609563 Discover 0.00398406374501992 Forcite 0.5318725099601593 GULP 0.02091633466135458 Kinetix 1.9920318725099602E-4 LUDI 0.0037848605577689245 LibDock 0.06673306772908366 LigandFit 0.00398406374501992 MCSS 3.9840637450199205E-4 MODELER 0.2400398406374502 MesoDyn 7.968127490039841E-4 Mesocite 0.00298804780876494 Mesoscale 0.005776892430278884 Modules 0.0 Morphology 0.017131474103585658 ONETEP 7.968127490039841E-4 Polymorph 0.0017928286852589642 QMERA 1.9920318725099602E-4 QSAR 5.97609561752988E-4 Quantum Mechanics 0.48685258964143424 Reflex 0.05258964143426295 Reflex Plus 5.97609561752988E-4 Semi-empirical 0.0051792828685258965 Sorption 0.05657370517928287 Synthia 0.001195219123505976 TURBOMOLE 1.9920318725099602E-4 VAMP 9.9601593625498E-4 Visualization 0.6683266932270916 X-Cell 0.0015936254980079682 ZDOCK 0.027888446215139442

Year

2024 0.3888625217528872 2025 1.0 2026 0.669672520170859 2027 0.0

Keywords

target 1.0 potential 0.29830210772833726 analysis 0.20969945355191258 docking 0.20228337236533958 visualization 0.1525175644028103 between 0.14978532396565183 novel 0.09006635441061671 energy 0.0821623731459797 promising 0.08177205308352849 binding 0.06313427010148322 cell 0.062743950039032 performance 0.044691647150663545 stability 0.04049570647931304 activity 0.03961748633879782 including 0.020491803278688523 experimental 0.015124902419984387 effective 0.014929742388758781 synthesized 0.013173302107728338 development 0.01249024199843872 enhanced 0.012295081967213115 mechanism 0.011904761904761904 strong 0.009660421545667448 interaction 0.006928181108508977 design 0.001756440281030445 strategy 0.0
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