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Application

Discovery Studio 0.9243896035704909 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0697442710063102 Amorphous Cell 0.2872799734307539 Blends 0.0019926934573231483 CASTEP 0.356360013284623 CDOCKER 0.15343739621388244 CHARMm 0.25440053138492197 COMPASS 0.35403520425107937 COMPASS III 0.09465293922284955 COSMObase 0.003985386914646297 COSMOconf 0.005313849219528396 COSMOperm 6.642311524410495E-4 COSMOquick 0.0016605778811026237 COSMOtherm 0.06243772832945865 Catalyst 0.08037196944536698 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06908003985386915 DFTB Plus 0.002324809033543673 DMol3 0.15277316506144137 DPD 0.0019926934573231483 Discover 0.004981733643307871 Forcite 0.5410162736632348 GULP 0.018598472268349386 LUDI 0.003985386914646297 LibDock 0.06741946197276652 LigandFit 0.0033211557622052474 MCSS 9.963467286615742E-4 MODELER 0.2431086017934241 MesoDyn 9.963467286615742E-4 Mesocite 0.0036532713384257723 Mesoscale 0.00631019594818997 Morphology 0.014945200929923613 ONETEP 0.0 Polymorph 9.963467286615742E-4 QMERA 0.0 QSAR 6.642311524410495E-4 Quantum Mechanics 0.49850547990700766 Reflex 0.05181002989040186 Reflex Plus 6.642311524410495E-4 Semi-empirical 0.003985386914646297 Sorption 0.049485220856858185 Synthia 3.3211557622052476E-4 TURBOMOLE 3.3211557622052476E-4 VAMP 9.963467286615742E-4 Visualization 0.6951179010295583 X-Cell 0.0019926934573231483 ZDOCK 0.0295582862836267

Year

2023 0.0035961983046493705 2024 0.48805548420241457 2025 1.0 2026 0.543025944002055 2027 0.0

Keywords

target 1.0 potential 0.2905779889152811 analysis 0.2042755344418052 docking 0.2034837688044339 visualization 0.15819477434679335 between 0.15138558986539985 novel 0.09216152019002376 energy 0.0768012668250198 promising 0.07220902612826603 binding 0.06920031670625496 cell 0.059699129057798894 activity 0.04053840063341251 stability 0.03895486935866983 performance 0.03689627870150435 including 0.016785431512272367 experimental 0.015676959619952493 effective 0.014726840855106888 interaction 0.01456848772763262 mechanism 0.012668250197941409 development 0.008392715756136183 synthesized 0.008392715756136183 enhanced 0.008234362628661916 strong 0.005225653206650831 design 0.0 protein 0.0
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