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Application

Discovery Studio 0.6836043360433605 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.03713527851458886 Amorphous Cell 0.3147656940760389 Blends 8.841732979664014E-4 CASTEP 0.358974358974359 CDOCKER 0.14412024756852343 CHARMm 0.246684350132626 COMPASS 0.358974358974359 COMPASS III 0.10079575596816977 COSMObase 0.008841732979664015 COSMOconf 0.004420866489832007 COSMOperm 8.841732979664014E-4 COSMOplex 8.841732979664014E-4 COSMOquick 0.002652519893899204 COSMOtherm 0.09460654288240496 Catalyst 0.16357206012378425 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.08841732979664015 DFTB Plus 0.00618921308576481 DMol3 0.21131741821396993 DPD 0.0017683465959328027 Discover 0.002652519893899204 Forcite 0.5508399646330681 GULP 0.020335985853227233 Kinetix 0.0 LUDI 0.00618921308576481 LibDock 0.0592396109637489 LigandFit 0.002652519893899204 MCSS 0.0 MODELER 0.15384615384615385 MesoDyn 0.0 Mesocite 0.002652519893899204 Mesoscale 0.005305039787798408 Morphology 0.02475685234305924 ONETEP 0.0 Polymorph 8.841732979664014E-4 QMERA 8.841732979664014E-4 QSAR 0.004420866489832007 Quantum Mechanics 0.5596816976127321 Reflex 0.0610079575596817 Reflex Plus 8.841732979664014E-4 Semi-empirical 0.010610079575596816 Sorption 0.05658709106984969 Synthia 0.0017683465959328027 TURBOMOLE 0.0 VAMP 0.0017683465959328027 Visualization 0.5013262599469496 ZDOCK 0.01856763925729443

Year

2023 0.09031318281136198 2024 0.44646758922068464 2025 1.0 2026 0.5069191551347414 2027 0.0

Keywords

design 1.0 target 0.9282417121275703 potential 0.21695342005874949 novel 0.16449853126311373 synthesis 0.15023080151070078 between 0.13050776332354175 docking 0.12463281577843055 analysis 0.11372219890893831 performance 0.10994544691565254 synthesized 0.10029374737725556 promising 0.09861519093579521 energy 0.09190096516995384 development 0.08015107007973143 cell 0.07049937054133446 visualization 0.059588753671842215 activity 0.053294167016365926 stability 0.03776751993285774 designed 0.02517834662190516 strategy 0.022660511959714646 compound 0.01888375996642887 binding 0.018464120856063786 effective 0.01594628619387327 efficient 0.008812421317666807 enhanced 0.0029374737725556023 including 0.0
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