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Application

Discovery Studio 0.45828635851183763 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08194622279129321 Amorphous Cell 0.3179684165599659 Blends 0.0012804097311139564 CASTEP 0.471190781049936 CDOCKER 0.10243277848911651 CHARMm 0.16645326504481434 COMPASS 0.402475458813487 COMPASS III 0.08279982927870252 COSMObase 0.002987622705932565 COSMOconf 0.005548442168160478 COSMOperm 4.268032437046522E-4 COSMOquick 0.002987622705932565 COSMOtherm 0.07127614169867691 Cantera 0.0 Catalyst 0.046094750320102434 Classical Simulations 1.0 Conformers 8.536064874093043E-4 Crystallization 0.08237302603499787 DFTB Plus 0.005548442168160478 DMol3 0.20486555697823303 DPD 0.002134016218523261 Discover 0.004268032437046522 Forcite 0.6103286384976526 GULP 0.024754588134869825 LUDI 0.0017072129748186087 LibDock 0.04139991463935126 LigandFit 0.002134016218523261 MODELER 0.15749039692701663 MesoDyn 0.0012804097311139564 Mesocite 0.0038412291933418692 Mesoscale 0.007255655142979087 Morphology 0.020059752454118653 ONETEP 8.536064874093043E-4 Polymorph 8.536064874093043E-4 QSAR 0.002134016218523261 Quantum Mechanics 0.6632522407170295 Reflex 0.06017925736235595 Reflex Plus 4.268032437046522E-4 Semi-empirical 0.007255655142979087 Sorption 0.05847204438753734 Synthia 0.0 TURBOMOLE 4.268032437046522E-4 VAMP 0.0012804097311139564 Visualization 0.4622279129321383 X-Cell 0.002134016218523261 ZDOCK 0.017498932991890738

Year

2025 0.0

Keywords

target 1.0 potential 0.25069104826706357 between 0.17180523070380607 analysis 0.16287476079098448 energy 0.1314054858600893 docking 0.09398256432064639 cell 0.07867318732723794 novel 0.0754837337869445 performance 0.07378269189878801 visualization 0.07293217095470976 promising 0.0637890708058686 experimental 0.04635339145226451 stability 0.04635339145226451 enhanced 0.02445247714224963 effective 0.019987242185838826 binding 0.01934935147778014 including 0.01934935147778014 interaction 0.014246225813310653 mechanism 0.01275781416117372 strong 0.010844142036997661 development 0.007654688496704231 amorphous 0.005528386136508611 synthesized 0.00531575590048905 activity 0.0012757814161173718 adsorption 0.0
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