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Application

Discovery Studio 0.8233072565416779 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06404608607251779 Amorphous Cell 0.2958319213825822 Blends 0.0016943409013893595 CASTEP 0.3303964757709251 CDOCKER 0.1446967129786513 CHARMm 0.23551338529312096 COMPASS 0.34666214842426296 COMPASS III 0.11555404947475433 COSMObase 0.004405286343612335 COSMOconf 0.006777363605557438 COSMOmic 0.0 COSMOperm 6.777363605557439E-4 COSMOplex 3.3886818027787193E-4 COSMOquick 3.3886818027787193E-4 COSMOtherm 0.07082344967807523 Catalyst 0.07150118603863097 Classical Simulations 1.0 Conformers 6.777363605557439E-4 Crystallization 0.08166723144696712 DFTB Plus 0.003049813622500847 DMol3 0.15181294476448662 DPD 0.0027109454422229754 Discover 0.004405286343612335 Forcite 0.5540494747543205 GULP 0.014571331751948491 Kinetix 3.3886818027787193E-4 LUDI 0.003388681802778719 LibDock 0.0579464588275161 LigandFit 0.0023720772619451034 MODELER 0.21755337173839376 MesoDyn 0.0 Mesocite 0.003727549983056591 Mesoscale 0.006438495425279567 Morphology 0.01965435445611657 ONETEP 0.0013554727211114877 Polymorph 0.0010166045408336157 QMERA 0.0 QSAR 3.3886818027787193E-4 Quantum Mechanics 0.47441545238902066 Reflex 0.05930193154862758 Reflex Plus 3.3886818027787193E-4 Semi-empirical 0.004744154523890207 Sorption 0.05930193154862758 Synthia 0.0013554727211114877 TURBOMOLE 0.0 VAMP 0.0010166045408336157 Visualization 0.6238563198915622 X-Cell 0.0013554727211114877 ZDOCK 0.02338190443917316

Year

2024 0.15540911587040088 2025 1.0 2026 0.870950027457441 2027 0.0

Keywords

target 1.0 potential 0.2915000869111768 analysis 0.21328002781157657 docking 0.19172605597079784 visualization 0.14601077698592038 between 0.14531548757170173 energy 0.08917086737354424 promising 0.08795411089866156 novel 0.08117503911002955 cell 0.07196245437163219 performance 0.06553102729010951 binding 0.06222840257257083 stability 0.05006083782374413 activity 0.03685033895358943 enhanced 0.025725708326090734 including 0.024335129497653398 strong 0.02416130714409873 experimental 0.021032504780114723 strategy 0.01877281418390405 mechanism 0.018251347123240048 effective 0.01581783417347471 synthesized 0.012341387102381366 development 0.011298452981053364 design 0.0066052494350773506 interaction 0.0
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