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Application

Discovery Studio 1.0 Materials Studio 0.795459152645449 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.060550458715596334 Amorphous Cell 0.27370030581039756 Blends 6.116207951070336E-4 CASTEP 0.3428134556574923 CDOCKER 0.1944954128440367 CHARMm 0.3122324159021407 COMPASS 0.3256880733944954 COMPASS III 0.09051987767584098 COSMObase 0.0045871559633027525 COSMOconf 0.0027522935779816515 COSMOmic 0.0 COSMOperm 6.116207951070336E-4 COSMOplex 0.0 COSMOquick 0.001834862385321101 COSMOtherm 0.05902140672782875 Catalyst 0.12293577981651377 Classical Simulations 1.0 Conformers 3.058103975535168E-4 Crystallization 0.06697247706422019 DFTB Plus 0.0045871559633027525 DMol3 0.1596330275229358 DPD 0.0027522935779816515 Discover 0.001834862385321101 Forcite 0.5024464831804282 GULP 0.01743119266055046 Kinetix 0.0 LUDI 0.003669724770642202 LibDock 0.07675840978593272 LigandFit 0.005504587155963303 MCSS 9.174311926605505E-4 MODELER 0.25412844036697246 MesoDyn 6.116207951070336E-4 Mesocite 0.0030581039755351682 Mesoscale 0.005810397553516819 Morphology 0.01926605504587156 ONETEP 6.116207951070336E-4 Polymorph 0.0015290519877675841 QSAR 6.116207951070336E-4 Quantum Mechanics 0.4935779816513762 Reflex 0.045565749235474004 Reflex Plus 0.0012232415902140672 Semi-empirical 0.005810397553516819 Sorption 0.05015290519877676 Synthia 0.0012232415902140672 TURBOMOLE 6.116207951070336E-4 VAMP 9.174311926605505E-4 Visualization 0.9113149847094801 X-Cell 0.001834862385321101 ZDOCK 0.0327217125382263

Year

2023 0.0 2024 0.408225227711841 2025 1.0 2026 0.18603367375103505

Keywords

target 1.0 potential 0.3098463141443084 docking 0.2668663714508987 visualization 0.22453764001041937 analysis 0.21841625423287314 between 0.14795519666579837 novel 0.11318051575931232 binding 0.09299296691846835 promising 0.07397759833289919 activity 0.07202396457410784 energy 0.06668403230007815 cell 0.05978119301901537 stability 0.034514196405313884 synthesized 0.03112789789007554 interaction 0.03047668663714509 protein 0.028392810627767648 development 0.024225058609012765 including 0.02096900234436051 mechanism 0.02057827559260224 experimental 0.018233915082052618 synthesis 0.015629070070330816 effective 0.014066163063297733 performance 0.013024225058609012 vitro 0.006251628028132326 compound 0.0
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