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Application

Discovery Studio 1.0 Materials Studio 0.8076042599781029 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06108897742363878 Amorphous Cell 0.2703261029954257 Blends 0.0014755791648221927 CASTEP 0.34130146082337315 CDOCKER 0.18975948059613398 CHARMm 0.30278884462151395 COMPASS 0.33348089124981556 COMPASS III 0.08720672864099159 COSMObase 0.00413162166150214 COSMOconf 0.00398406374501992 COSMOmic 0.0 COSMOperm 8.853474988933156E-4 COSMOplex 1.4755791648221928E-4 COSMOquick 0.0014755791648221927 COSMOtherm 0.06064630367419212 Catalyst 0.12321086026265309 Classical Simulations 1.0 Conformers 2.9511583296443856E-4 Crystallization 0.06448280950272982 DFTB Plus 0.004869411243913236 DMol3 0.15493581230633025 DPD 0.0019182529142688506 Discover 0.0029511583296443853 Forcite 0.5075992326988343 GULP 0.01873985539324185 Kinetix 0.0 LUDI 0.00413162166150214 LibDock 0.07982883281688062 LigandFit 0.004721853327431017 MCSS 5.902316659288771E-4 MODELER 0.25527519551423933 MesoDyn 7.377895824110963E-4 Mesocite 0.0025084845801977276 Mesoscale 0.004869411243913236 Modules 0.0 Morphology 0.0160838128965619 ONETEP 5.902316659288771E-4 Polymorph 0.0017706949977866313 QMERA 0.0 QSAR 8.853474988933156E-4 Quantum Mechanics 0.48576066105946586 Reflex 0.04633318577541685 Reflex Plus 0.0011804633318577543 Semi-empirical 0.006344990408735428 Sorption 0.05179282868525897 Synthia 0.001032905415375535 TURBOMOLE 2.9511583296443856E-4 VAMP 0.0011804633318577543 Visualization 0.8900693522207467 X-Cell 0.001623137081304412 ZDOCK 0.03142983621071271

Year

2023 0.0 2024 0.3948080043266631 2025 1.0 2026 0.1736073553272039

Keywords

target 1.0 potential 0.30789273004575496 docking 0.2580071174377224 visualization 0.21689120488052874 analysis 0.21206151499745807 between 0.1443823080833757 novel 0.10962125063548551 binding 0.08845958312150483 promising 0.07225470259278088 activity 0.06583629893238434 energy 0.06532791052364006 cell 0.05617691916624301 stability 0.03628622267412303 interaction 0.029232333502796137 protein 0.028088459583121506 synthesized 0.025546517539400102 including 0.021670055922724963 development 0.01989069649211998 mechanism 0.01614133197763091 effective 0.0157600406710727 experimental 0.013408744280630401 performance 0.012646161667513981 synthesis 0.01137519064565328 vitro 0.0026690391459074734 silico 0.0
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