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Application

Discovery Studio 0.8137647663071392 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06774105435673314 Amorphous Cell 0.29158699808795413 Blends 0.002185195301830101 CASTEP 0.3825457525266321 CDOCKER 0.14231084403168534 CHARMm 0.2309478284621688 COMPASS 0.36588363835017756 COMPASS III 0.09710461622507512 COSMObase 0.003960666484567058 COSMOconf 0.005326413548210871 COSMOmic 1.365747063643813E-4 COSMOperm 9.560229445506692E-4 COSMOplex 1.365747063643813E-4 COSMOquick 0.0015023217700081944 COSMOtherm 0.06692160611854685 Cantera 0.0 Catalyst 0.0826276973504507 Classical Simulations 1.0 Conformers 4.0972411909314397E-4 Crystallization 0.07429664026222343 DFTB Plus 0.005872712373668397 DMol3 0.17140125648729856 DPD 0.002458344714558864 Discover 0.0036875170718382957 Forcite 0.5566785031412183 GULP 0.021032504780114723 Kinetix 2.731494127287626E-4 LUDI 0.0031412182463807703 LibDock 0.06173176727670036 LigandFit 0.0034143676591095328 MCSS 4.0972411909314397E-4 MODELER 0.21455886369844304 MesoDyn 8.194482381862879E-4 Mesocite 0.0028680688336520078 Mesoscale 0.005599562960939634 Modules 0.0 Morphology 0.017344987708276426 ONETEP 0.001229172357279432 Polymorph 0.00204862059546572 QMERA 1.365747063643813E-4 QSAR 9.560229445506692E-4 Quantum Mechanics 0.5432941819175089 Reflex 0.05394700901393062 Reflex Plus 0.0010925976509150504 Semi-empirical 0.007375034143676591 Sorption 0.05886369844304835 Synthia 0.001229172357279432 TURBOMOLE 4.0972411909314397E-4 VAMP 0.0010925976509150504 Visualization 0.6709915323682054 X-Cell 0.0015023217700081944 ZDOCK 0.02499317126468178

Year

2023 0.05502634779083908 2024 0.4544993919740576 2025 1.0 2026 0.4305837049047426 2027 0.0

Keywords

target 1.0 potential 0.2845470462356527 analysis 0.19784709162829908 docking 0.1860450035665651 between 0.16263536735620257 visualization 0.15589131703521172 energy 0.09986382206082614 novel 0.09545425069710135 promising 0.07424940016860125 cell 0.06971013552947279 binding 0.05901044030867 performance 0.05109915050904611 stability 0.04409571363724791 activity 0.03981583554892679 experimental 0.03054276635756436 including 0.022955709746449646 synthesized 0.021788470267816613 interaction 0.0212048505285001 effective 0.02036184423837624 mechanism 0.018546138382724855 development 0.016665585889371635 enhanced 0.014655340120614747 design 0.00415018481291745 strong 0.0012969327540367033 synthesis 0.0
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