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Application

Discovery Studio 0.5239081925406439 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07491931765790687 Amorphous Cell 0.31420009220839096 Blends 0.002305209774089442 CASTEP 0.43453204241585985 CDOCKER 0.11272475795297372 CHARMm 0.17911479944674966 COMPASS 0.39903181189488246 COMPASS III 0.08990318118948824 COSMObase 0.003457814661134163 COSMOconf 0.005301982480405717 COSMOmic 0.0 COSMOperm 0.0016136468418626094 COSMOplex 0.0 COSMOquick 0.002074688796680498 COSMOtherm 0.07445827570308898 Cantera 0.0 Catalyst 0.04979253112033195 Classical Simulations 1.0 Conformers 4.610419548178884E-4 Crystallization 0.07607192254495158 DFTB Plus 0.00714615029967727 DMol3 0.1934071000461042 DPD 0.003227293683725219 Discover 0.003227293683725219 Forcite 0.6067312125403411 GULP 0.024896265560165973 Kinetix 2.305209774089442E-4 LUDI 0.0025357307514983865 LibDock 0.046795758414015676 LigandFit 0.002305209774089442 MODELER 0.17450437989857076 MesoDyn 0.001152604887044721 Mesocite 0.002996772706316275 Mesoscale 0.007376671277086215 Modules 0.0 Morphology 0.018441678192715538 ONETEP 9.220839096357768E-4 Polymorph 0.0013831258644536654 QSAR 0.0013831258644536654 Quantum Mechanics 0.6143384047948364 Reflex 0.05463347164591978 Reflex Plus 0.0018441678192715537 Semi-empirical 0.00875979714153988 Sorption 0.06016597510373444 Synthia 0.0016136468418626094 TURBOMOLE 4.610419548178884E-4 VAMP 0.0013831258644536654 Visualization 0.49239280774550487 X-Cell 0.0016136468418626094 ZDOCK 0.01867219917012448

Year

2025 0.0

Keywords

target 1.0 potential 0.26579126103690287 between 0.17568485397328504 analysis 0.1735340729001585 energy 0.1280280733529545 docking 0.11478378990264886 visualization 0.0898800090559203 novel 0.08603124292506226 cell 0.08116368575956531 promising 0.07697532261716097 performance 0.07448494453248812 stability 0.050486755716549696 experimental 0.047203984604935474 including 0.034412497170024904 binding 0.03260131310844465 enhanced 0.027620556939098935 effective 0.024790581842879782 interaction 0.02048901969662667 development 0.01867783563504641 mechanism 0.01697985057731492 synthesized 0.016300656554222324 strong 0.013244283450305637 activity 0.012225492415666742 amorphous 0.007810731265564863 design 0.0
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