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Application

Discovery Studio 0.8645246770453793 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06571671629094003 Amorphous Cell 0.289238621863037 Blends 0.0019140791152700979 CASTEP 0.35325393449595915 CDOCKER 0.15185027647809443 CHARMm 0.23925988940876222 COMPASS 0.35878349638451723 COMPASS III 0.10059549128030626 COSMObase 0.004040833687792429 COSMOconf 0.00616758826031476 COSMOmic 0.0 COSMOperm 0.0010633772862611655 COSMOplex 2.126754572522331E-4 COSMOquick 6.380263717566993E-4 COSMOtherm 0.06954487452148023 Cantera 0.0 Catalyst 0.08443215652913653 Classical Simulations 1.0 Conformers 4.253509145044662E-4 Crystallization 0.07486176095278604 DFTB Plus 0.00552956188855806 DMol3 0.16056997022543598 DPD 0.002339430029774564 Discover 0.0038281582305401958 Forcite 0.5527435133985538 GULP 0.01658868566567418 Kinetix 2.126754572522331E-4 LUDI 0.0031901318587834963 LibDock 0.059549128030625266 LigandFit 0.004040833687792429 MCSS 4.253509145044662E-4 MODELER 0.22586133560187155 MesoDyn 2.126754572522331E-4 Mesocite 0.0029774564015312634 Mesoscale 0.005316886431305828 Morphology 0.018077413866439813 ONETEP 0.0012760527435133986 Polymorph 0.0017014036580178648 QMERA 2.126754572522331E-4 QSAR 6.380263717566993E-4 Quantum Mechanics 0.505529561888558 Reflex 0.05359421522756274 Reflex Plus 6.380263717566993E-4 Semi-empirical 0.007443641003828158 Sorption 0.059549128030625266 Synthia 0.0012760527435133986 TURBOMOLE 4.253509145044662E-4 VAMP 0.0012760527435133986 Visualization 0.6743938749468311 X-Cell 0.0019140791152700979 ZDOCK 0.02679710761378137

Year

2023 0.02433593128678225 2024 0.35565452521075236 2025 1.0 2026 0.5657706378240814 2027 0.0

Keywords

target 1.0 potential 0.2902763561924258 analysis 0.20266120777891505 docking 0.19611054247697032 visualization 0.15762538382804503 between 0.1527123848515865 novel 0.0894575230296827 energy 0.08822927328556807 promising 0.07451381780962128 cell 0.06673490276356192 binding 0.06049129989764585 performance 0.04882292732855681 activity 0.043091095189355166 stability 0.0398157625383828 experimental 0.02661207778915046 including 0.02354145342886387 synthesized 0.022517911975435005 effective 0.018014329580348005 mechanism 0.01750255885363357 development 0.016479017400204708 enhanced 0.015660184237461617 interaction 0.011566018423746162 strong 0.009109518935516888 design 0.00255885363357216 synthesis 0.0
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