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Application

Discovery Studio 1.0 Materials Studio 0.9769211260461578 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0546448087431694 Amorphous Cell 0.2809386049501768 Blends 0.0016072002571520412 CASTEP 0.33751205400192863 CDOCKER 0.17132754741240758 CHARMm 0.26454516232722597 COMPASS 0.34265509482481515 COMPASS III 0.10414657666345227 COSMObase 0.004500160720025715 COSMOconf 0.00546448087431694 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 3.214400514304082E-4 COSMOquick 0.0012857602057216328 COSMOtherm 0.06685953069752491 Catalyst 0.09611057537769206 Classical Simulations 1.0 Conformers 3.214400514304082E-4 Crystallization 0.07232401157184185 DFTB Plus 0.006107360977177756 DMol3 0.15814850530376084 DPD 0.0019286403085824494 Discover 0.0019286403085824494 Forcite 0.5284474445515911 GULP 0.021215043394406944 Kinetix 3.214400514304082E-4 LUDI 0.0025715204114432656 LibDock 0.06910961105753777 LigandFit 0.004500160720025715 MODELER 0.25650916104146576 MesoDyn 0.0 Mesocite 0.0022500803600128574 Mesoscale 0.004500160720025715 Modules 0.0 Morphology 0.017357762777242044 ONETEP 0.0012857602057216328 Polymorph 0.0025715204114432656 QMERA 0.0 QSAR 3.214400514304082E-4 Quantum Mechanics 0.4869816779170685 Reflex 0.0507875281260045 Reflex Plus 9.643201542912247E-4 Semi-empirical 0.007393121182899389 Sorption 0.06203792992606879 Synthia 0.0012857602057216328 TURBOMOLE 0.0 VAMP 6.428801028608164E-4 Visualization 0.7524911603985857 X-Cell 6.428801028608164E-4 ZDOCK 0.02700096432015429

Year

2023 0.026801517067003792 2024 0.5597977243994943 2025 1.0 2026 0.5393173198482933 2027 0.0

Keywords

target 1.0 potential 0.30784080784080786 docking 0.22497772497772497 analysis 0.21473121473121473 visualization 0.18087318087318088 between 0.14983664983664985 novel 0.10068310068310068 energy 0.0847935847935848 promising 0.08226908226908226 binding 0.07098307098307098 cell 0.06623106623106623 activity 0.05539055539055539 performance 0.040986040986040986 stability 0.04009504009504009 synthesized 0.02776952776952777 including 0.02390852390852391 development 0.021532521532521533 mechanism 0.020047520047520046 experimental 0.01975051975051975 effective 0.019305019305019305 interaction 0.017077517077517076 protein 0.00994950994950995 synthesis 0.009504009504009503 enhanced 0.008464508464508464 design 0.0
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