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Application

Discovery Studio 0.7823734054889834 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08232445520581114 Amorphous Cell 0.2711864406779661 Blends 0.004842615012106538 CASTEP 0.5453995157384988 CDOCKER 0.14043583535108958 CHARMm 0.21004842615012106 COMPASS 0.4213075060532688 COMPASS III 0.027239709443099273 COSMOconf 6.053268765133172E-4 COSMOmic 0.0 COSMOperm 0.0012106537530266344 COSMOplex 0.0012106537530266344 COSMOquick 6.053268765133172E-4 COSMOtherm 0.07929782082324455 Catalyst 0.1579903147699758 Classical Simulations 1.0 Conformers 0.005447941888619854 Crystallization 0.09443099273607748 DFTB Plus 0.007263922518159807 DMol3 0.28087167070217917 DPD 0.0036319612590799033 Discover 0.016343825665859565 Forcite 0.5393462469733656 GULP 0.04055690072639225 LUDI 0.0018159806295399517 LibDock 0.06234866828087167 LigandFit 0.006053268765133172 MODELER 0.061138014527845036 MesoDyn 0.005447941888619854 Mesocite 0.004842615012106538 Mesoscale 0.012106537530266344 Morphology 0.027239709443099273 ONETEP 0.002421307506053269 Polymorph 0.002421307506053269 QMERA 0.0012106537530266344 QSAR 0.0018159806295399517 Quantum Mechanics 0.8044794188861986 Reflex 0.06537530266343826 Reflex Plus 6.053268765133172E-4 Semi-empirical 0.012711864406779662 Sorption 0.05447941888619855 Synthia 6.053268765133172E-4 TURBOMOLE 0.0 VAMP 0.003026634382566586 Visualization 0.9194915254237288 X-Cell 6.053268765133172E-4 ZDOCK 0.02602905569007264

Year

2023 0.0

Keywords

target 1.0 visualization 0.21306084096781772 potential 0.19074465586093492 docking 0.18534178999295278 between 0.15762273901808785 analysis 0.1346018322762509 energy 0.08973455485083393 novel 0.07282123561193328 experimental 0.05872680291284942 cell 0.054498473103124265 binding 0.05261921540991309 interaction 0.05167958656330749 activity 0.03711533944092084 synthesized 0.03312191684284708 mechanism 0.025839793281653745 chemical 0.02466525722339676 well 0.019732205778717406 protein 0.017148226450552032 promising 0.015973690392295042 stability 0.007986845196147521 effective 0.0072821235611933285 synthesis 0.0072821235611933285 higher 0.007047216349541931 surface 0.004463237021376556 design 0.0
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