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Application

Discovery Studio 0.9891050583657588 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06862257583291895 Amorphous Cell 0.2814520139234212 Blends 0.0022376926902038788 CASTEP 0.3746892093485828 CDOCKER 0.16136250621581302 CHARMm 0.26827449030333167 COMPASS 0.34908005967180505 COMPASS III 0.08577821979114868 COSMObase 0.0037294878170064643 COSMOconf 0.0044753853804077575 COSMOperm 7.458975634012929E-4 COSMOquick 0.00174042764793635 COSMOtherm 0.06066633515663849 Cantera 0.0 Catalyst 0.1071606166086524 Classical Simulations 1.0 Conformers 7.458975634012929E-4 Crystallization 0.07011437095972153 DFTB Plus 0.0032322227747389356 DMol3 0.16409746394828442 DPD 0.001989060169070114 Discover 0.0044753853804077575 Forcite 0.5323222277473894 GULP 0.01964196916956738 LUDI 0.0044753853804077575 LibDock 0.06787667826951765 LigandFit 0.003978120338140228 MCSS 9.94530084535057E-4 MODELER 0.2145698657384386 MesoDyn 9.94530084535057E-4 Mesocite 0.0037294878170064643 Mesoscale 0.006215813028344107 Morphology 0.015415216310293387 ONETEP 7.458975634012929E-4 Polymorph 0.0012431626056688214 QMERA 0.0 QSAR 9.94530084535057E-4 Quantum Mechanics 0.5273495773247141 Reflex 0.05246146195922426 Reflex Plus 4.972650422675286E-4 Semi-empirical 0.004972650422675286 Sorption 0.05072103431128792 Synthia 2.486325211337643E-4 TURBOMOLE 4.972650422675286E-4 VAMP 0.0012431626056688214 Visualization 0.7779711586275485 X-Cell 0.001989060169070114 ZDOCK 0.028095474888115365

Year

2023 0.2040165165165165 2024 0.4622747747747748 2025 1.0 2026 0.3969594594594595 2027 0.0

Keywords

target 1.0 potential 0.29314259763851047 docking 0.22400090826521343 analysis 0.2027702089009991 visualization 0.18880563124432334 between 0.15156675749318801 novel 0.09968210717529519 energy 0.078905540417802 binding 0.07300181653042688 promising 0.06698455949137148 cell 0.05994550408719346 activity 0.048819255222524977 stability 0.04030426884650318 performance 0.029745685740236148 interaction 0.024069028156221618 experimental 0.023047229791099 synthesized 0.02100363306085377 including 0.020095367847411442 effective 0.015440508628519528 mechanism 0.01419164396003633 protein 0.01419164396003633 development 0.01407811080835604 synthesis 0.0029518619436875566 design 0.0013623978201634877 enhanced 0.0
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