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Application

Discovery Studio 0.8565938025462407 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06177260519247986 Amorphous Cell 0.2900626678603402 Blends 0.0020889286780065653 CASTEP 0.3249776186213071 CDOCKER 0.15159653834676215 CHARMm 0.24410623694419575 COMPASS 0.35183527305282003 COMPASS III 0.10981796478663086 COSMObase 0.005669949268874963 COSMOconf 0.006266786034019696 COSMOmic 0.0 COSMOperm 5.96836765144733E-4 COSMOplex 2.984183825723665E-4 COSMOquick 8.952551477170994E-4 COSMOtherm 0.06714413607878246 Catalyst 0.06445837063563116 Classical Simulations 1.0 Conformers 2.984183825723665E-4 Crystallization 0.07430617726051925 DFTB Plus 0.003879438973440764 DMol3 0.15517755893763055 DPD 0.002387347060578932 Discover 0.005669949268874963 Forcite 0.5446135481945688 GULP 0.017905102954341987 Kinetix 0.0 LUDI 0.0035810205908683975 LibDock 0.06296627872276932 LigandFit 0.0029841838257236644 MODELER 0.23187108325872874 MesoDyn 5.96836765144733E-4 Mesocite 0.0035810205908683975 Mesoscale 0.006266786034019696 Morphology 0.016413011041480154 ONETEP 8.952551477170994E-4 Polymorph 0.0026857654431512983 QMERA 2.984183825723665E-4 QSAR 5.96836765144733E-4 Quantum Mechanics 0.4717994628469114 Reflex 0.05401372724559833 Reflex Plus 5.96836765144733E-4 Semi-empirical 0.00507311250373023 Sorption 0.05729632945389436 Synthia 8.952551477170994E-4 TURBOMOLE 0.0 VAMP 2.984183825723665E-4 Visualization 0.6272754401671143 X-Cell 0.0014920919128618322 ZDOCK 0.025365562518651148

Year

2024 0.09907497565725414 2025 1.0 2026 0.9466893865628043 2027 0.0

Keywords

target 1.0 potential 0.30713269017871264 analysis 0.22078127471137118 docking 0.198956191681164 visualization 0.14676577573936422 between 0.14470978965680847 promising 0.0939427486952396 energy 0.08650956824292266 novel 0.08540249881385419 cell 0.06958722125573304 binding 0.06674047129527123 performance 0.05361379092203068 stability 0.048394749327850706 activity 0.036691443934841056 strong 0.028625652380199273 including 0.02641151352206231 enhanced 0.02087616637671991 effective 0.015815277558121146 development 0.012494069270915705 strategy 0.011545152617428436 experimental 0.011386999841847224 mechanism 0.010121777637197533 synthesized 0.008223944330222995 design 0.003163055511624229 interaction 0.0
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