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Application

Discovery Studio 1.0 Materials Studio 0.965378421900161 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05594174114531612 Amorphous Cell 0.27573651108904335 Blends 0.0016550810989738498 CASTEP 0.306521019529957 CDOCKER 0.1774246938099967 CHARMm 0.277722608407812 COMPASS 0.32969215491559084 COMPASS III 0.11420059582919563 COSMObase 0.004634227077126779 COSMOconf 0.005627275736511089 COSMOmic 0.0 COSMOperm 3.3101621979476995E-4 COSMOplex 3.3101621979476995E-4 COSMOquick 6.620324395895399E-4 COSMOtherm 0.06355511420059583 Catalyst 0.07878186031115525 Classical Simulations 1.0 Conformers 6.620324395895399E-4 Crystallization 0.07447864945382324 DFTB Plus 0.004634227077126779 DMol3 0.141012909632572 DPD 0.0033101621979476996 Discover 0.003972194637537239 Forcite 0.5160542866600464 GULP 0.015888778550148957 Kinetix 3.3101621979476995E-4 LUDI 0.0026481297583581596 LibDock 0.06918238993710692 LigandFit 0.004303210857332009 MODELER 0.2519033432638199 MesoDyn 0.0 Mesocite 0.003641178417742469 Mesoscale 0.006620324395895399 Modules 0.0 Morphology 0.0165508109897385 ONETEP 0.0013240648791790798 Polymorph 0.0023171135385633896 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.4399205561072492 Reflex 0.05362462760675273 Reflex Plus 9.930486593843098E-4 Semi-empirical 0.005296259516716319 Sorption 0.06024495200264813 Synthia 0.0016550810989738498 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7146640185369083 X-Cell 9.930486593843098E-4 ZDOCK 0.027474346242965905

Year

2024 0.25887535630992486 2025 1.0 2026 0.7862140450894014 2027 0.0

Keywords

target 1.0 potential 0.3127532004537352 docking 0.22865013774104684 analysis 0.22346459244854966 visualization 0.17322962242748338 between 0.13806514341273698 promising 0.0899368011667477 novel 0.08799222168206125 binding 0.07794522767784799 energy 0.07356992383730351 cell 0.060119915734889 activity 0.05120725976340949 stability 0.04132231404958678 performance 0.040674120888024634 including 0.0285204991087344 synthesized 0.018149408523740074 strong 0.01750121536217793 effective 0.01733916707178739 development 0.015070491006319884 mechanism 0.013287959812023983 enhanced 0.010857235456165938 strategy 0.007940366229136282 experimental 0.00761626964835521 interaction 0.0066439799060119915 protein 0.0
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