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Application

Discovery Studio 1.0 Materials Studio 0.9659197012138189 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05385896724042199 Amorphous Cell 0.2670738478622987 Blends 0.001665741254858412 CASTEP 0.2859522487506941 CDOCKER 0.17379233759022766 CHARMm 0.277623542476402 COMPASS 0.33037201554691836 COMPASS III 0.11882287617990006 COSMObase 0.004997223764575236 COSMOconf 0.009439200444197668 COSMOmic 0.0 COSMOperm 5.55247084952804E-4 COSMOplex 5.55247084952804E-4 COSMOquick 5.55247084952804E-4 COSMOtherm 0.06774014436424208 Catalyst 0.08051082731815658 Classical Simulations 1.0 Conformers 5.55247084952804E-4 Crystallization 0.07606885063853415 DFTB Plus 0.003886729594669628 DMol3 0.13214880621876735 DPD 0.001665741254858412 Discover 0.003331482509716824 Forcite 0.5180455302609661 GULP 0.013325930038867296 Kinetix 0.0 LUDI 0.001665741254858412 LibDock 0.06885063853414769 LigandFit 0.003331482509716824 MODELER 0.2487506940588562 Mesocite 0.003331482509716824 Mesoscale 0.004441976679622432 Morphology 0.018323153803442533 ONETEP 0.001110494169905608 Polymorph 0.003331482509716824 QSAR 0.0 Quantum Mechanics 0.4142143253747918 Reflex 0.05219322598556358 Reflex Plus 5.55247084952804E-4 Semi-empirical 0.003886729594669628 Sorption 0.06662965019433648 Synthia 0.001110494169905608 TURBOMOLE 0.0 Visualization 0.6668517490283176 X-Cell 0.001110494169905608 ZDOCK 0.03220433092726263

Year

2024 0.003404255319148936 2025 1.0 2026 0.9404255319148936 2027 0.0

Keywords

target 1.0 potential 0.2847310731582972 docking 0.20112159061942392 analysis 0.19169003313790467 visualization 0.13535559520774917 between 0.10527657405047158 promising 0.08896252867703289 novel 0.08437420341575325 binding 0.06678562324751466 energy 0.05786387968391537 cell 0.05072648483303594 activity 0.03951057863879684 stability 0.03288299770583737 strong 0.029569207239357635 including 0.029314300280397654 performance 0.028294672444557738 therapeutic 0.017843487127198573 development 0.015804231455518736 effective 0.014529696660718837 strategy 0.010451185317359163 synthesized 0.008921743563599286 enhanced 0.006117767015039511 design 0.0030588835075197555 mechanism 0.0022941626306398166 experimental 0.0
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