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Application

Discovery Studio 0.9300822561692127 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05147563486616335 Amorphous Cell 0.28757721345229925 Blends 0.0013726835964310226 CASTEP 0.2656142759094029 CDOCKER 0.15305422100205904 CHARMm 0.2491420727522306 COMPASS 0.34111187371310914 COMPASS III 0.1269732326698696 COSMObase 0.002745367192862045 COSMOconf 0.008922443376801648 COSMOmic 0.0 COSMOperm 6.863417982155113E-4 COSMOplex 6.863417982155113E-4 COSMOtherm 0.06314344543582705 Catalyst 0.07549759780370624 Classical Simulations 1.0 Conformers 6.863417982155113E-4 Crystallization 0.08236101578586136 DFTB Plus 0.002745367192862045 DMol3 0.12010981468771448 DPD 0.002059025394646534 Discover 0.004804392587508579 Forcite 0.5456417295813315 GULP 0.008922443376801648 Kinetix 0.0 LUDI 0.0013726835964310226 LibDock 0.06451612903225806 LigandFit 0.002059025394646534 MODELER 0.2237474262182567 Mesocite 0.004804392587508579 Mesoscale 0.0061770761839396015 Morphology 0.019217570350034317 ONETEP 0.0013726835964310226 Polymorph 0.002059025394646534 Quantum Mechanics 0.38366506520247085 Reflex 0.059025394646533974 Reflex Plus 0.0 Semi-empirical 0.002745367192862045 Sorption 0.06451612903225806 Synthia 0.0013726835964310226 TURBOMOLE 0.0 Visualization 0.641729581331503 X-Cell 6.863417982155113E-4 ZDOCK 0.024708304735758406

Year

2025 0.8858204992033988 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.305384893386339 docking 0.21395012649078424 analysis 0.21250451752800867 visualization 0.15684857246114925 between 0.12974340440910734 promising 0.09143476689555476 novel 0.08239971087820744 cell 0.07083483917600289 binding 0.0701120346946151 energy 0.06758221900975786 performance 0.051319118178532706 activity 0.04806649801228768 stability 0.04409107336465486 strong 0.038670039754246474 strategy 0.03577882182869534 including 0.03505601734730755 mechanism 0.020961329960245755 therapeutic 0.020961329960245755 enhanced 0.01734730755330683 effective 0.016985905312612938 development 0.01590169859053126 synthesized 0.010480664980122878 design 0.008673653776653415 experimental 0.0
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