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Application

Discovery Studio 1.0 Materials Studio 0.908312447786132 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06282796766416111 Amorphous Cell 0.272443625017728 Blends 0.0022691816763579634 CASTEP 0.35668699475251736 CDOCKER 0.17855623315841723 CHARMm 0.2827967664161112 COMPASS 0.339809956034605 COMPASS III 0.09232732945681464 COSMObase 0.0038292440788540633 COSMOconf 0.005389306481350163 COSMOmic 1.4182385477237272E-4 COSMOperm 0.0012764146929513545 COSMOplex 1.4182385477237272E-4 COSMOquick 0.0015600624024961 COSMOtherm 0.06481350163097432 Catalyst 0.1148773223656219 Classical Simulations 1.0 Conformers 4.254715643171181E-4 Crystallization 0.06921004112891789 DFTB Plus 0.005672954190894908 DMol3 0.1601191320380088 DPD 0.0022691816763579634 Discover 0.002978300950219827 Forcite 0.5214863139980145 GULP 0.020138987377676925 Kinetix 2.8364770954474543E-4 LUDI 0.003403772514536945 LibDock 0.07502481917458516 LigandFit 0.0046801872074883 MCSS 4.254715643171181E-4 MODELER 0.2334420649553255 MesoDyn 7.091192738618636E-4 Mesocite 0.0024110055311303362 Mesoscale 0.005105658771805418 Modules 0.0 Morphology 0.01673521486313998 ONETEP 9.92766983406609E-4 Polymorph 0.0018437101120408453 QMERA 0.0 QSAR 8.509431286342362E-4 Quantum Mechanics 0.5065948092469154 Reflex 0.04963834917033045 Reflex Plus 0.0011345908381789817 Semi-empirical 0.0070911927386186355 Sorption 0.055027655651680614 Synthia 0.001418238547723727 TURBOMOLE 4.254715643171181E-4 VAMP 0.0011345908381789817 Visualization 0.825698482484754 X-Cell 0.0015600624024961 ZDOCK 0.029783009502198268

Year

2022 0.0 2023 0.19120718462823727 2024 0.49916457811194653 2025 1.0 2026 0.36601921470342524 2027 8.35421888053467E-4

Keywords

target 1.0 potential 0.2840243616772078 docking 0.2251112672757086 analysis 0.19255094869992972 visualization 0.18985710939330053 between 0.14189505739048958 novel 0.10283438744436636 binding 0.0792340126493324 energy 0.07290934645115953 promising 0.06962988990395877 cell 0.05832747716092762 activity 0.05815179198875615 stability 0.03478566408995081 synthesized 0.02945654720074959 interaction 0.029397985476692434 performance 0.02506441789646287 development 0.02196064652143359 including 0.021550714453033498 protein 0.021550714453033498 effective 0.020847973764347622 experimental 0.019032560318575777 mechanism 0.016748653080346686 synthesis 0.014347622394003279 design 0.0018154134457718436 enhanced 0.0
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