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Application

Discovery Studio 0.8495794843513029 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06313932980599647 Amorphous Cell 0.29065255731922396 Blends 0.001763668430335097 CASTEP 0.3522045855379189 CDOCKER 0.14885361552028217 CHARMm 0.2414462081128748 COMPASS 0.35432098765432096 COMPASS III 0.10458553791887125 COSMObase 0.004585537918871252 COSMOconf 0.005643738977072311 COSMOmic 1.763668430335097E-4 COSMOperm 5.291005291005291E-4 COSMOplex 1.763668430335097E-4 COSMOquick 0.0014109347442680777 COSMOtherm 0.0654320987654321 Catalyst 0.07336860670194004 Classical Simulations 1.0 Conformers 3.527336860670194E-4 Crystallization 0.07354497354497354 DFTB Plus 0.004232804232804233 DMol3 0.15908289241622575 DPD 0.002292768959435626 Discover 0.003703703703703704 Forcite 0.545326278659612 GULP 0.020458553791887126 Kinetix 1.763668430335097E-4 LUDI 0.0031746031746031746 LibDock 0.06455026455026455 LigandFit 0.003527336860670194 MCSS 1.763668430335097E-4 MODELER 0.22786596119929453 MesoDyn 7.054673721340388E-4 Mesocite 0.0031746031746031746 Mesoscale 0.00582010582010582 Modules 0.0 Morphology 0.01728395061728395 ONETEP 7.054673721340388E-4 Polymorph 0.001763668430335097 QMERA 1.763668430335097E-4 QSAR 7.054673721340388E-4 Quantum Mechanics 0.5012345679012346 Reflex 0.05343915343915344 Reflex Plus 0.0010582010582010583 Semi-empirical 0.00582010582010582 Sorption 0.05837742504409171 Synthia 0.0010582010582010583 TURBOMOLE 1.763668430335097E-4 VAMP 0.0010582010582010583 Visualization 0.6523809523809524 X-Cell 0.0014109347442680777 ZDOCK 0.025044091710758377

Year

2023 4.0677966101694915E-4 2024 0.3952542372881356 2025 1.0 2026 0.5754576271186441 2027 0.0

Keywords

target 1.0 potential 0.291407867494824 analysis 0.2070393374741201 docking 0.1916839199447895 between 0.15519323671497584 visualization 0.15087991718426502 energy 0.09178743961352658 novel 0.09178743961352658 promising 0.08247066942719117 cell 0.06892684610075915 binding 0.06219806763285024 performance 0.05417529330572809 stability 0.044944789510006904 activity 0.0371808143547274 experimental 0.022946859903381644 including 0.022688060731538992 effective 0.01932367149758454 mechanism 0.018719806763285024 enhanced 0.016908212560386472 synthesized 0.016649413388543824 development 0.014492753623188406 interaction 0.013630089717046238 strong 0.006038647342995169 design 0.003795721187025535 strategy 0.0
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