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Application

Discovery Studio 0.6835016835016835 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08045112781954887 Amorphous Cell 0.26165413533834586 Blends 0.004511278195488722 CASTEP 0.6684210526315789 CDOCKER 0.1548872180451128 CHARMm 0.19548872180451127 COMPASS 0.44511278195488724 COMPASS III 0.009022556390977444 COSMObase 0.0 COSMOconf 7.518796992481203E-4 COSMOperm 0.0 COSMOquick 0.0015037593984962407 COSMOtherm 0.09022556390977443 Catalyst 0.14210526315789473 Classical Simulations 1.0 Conformers 0.0015037593984962407 Crystallization 0.0849624060150376 DFTB Plus 0.006015037593984963 DMol3 0.34135338345864663 DPD 0.010526315789473684 Discover 0.021052631578947368 Forcite 0.5105263157894737 GULP 0.04586466165413534 LUDI 0.006766917293233083 LibDock 0.06466165413533835 LigandFit 0.005263157894736842 MCSS 0.002255639097744361 MODELER 0.08947368421052632 MesoDyn 0.0015037593984962407 Mesocite 0.009774436090225564 Mesoscale 0.017293233082706767 Morphology 0.019548872180451128 ONETEP 0.006015037593984963 Polymorph 0.0030075187969924814 QSAR 0.0037593984962406013 Quantum Mechanics 0.9969924812030075 Reflex 0.061654135338345864 Reflex Plus 7.518796992481203E-4 Semi-empirical 0.012781954887218045 Sorption 0.04736842105263158 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.006015037593984963 Visualization 0.9150375939849624 X-Cell 0.0 ZDOCK 0.035338345864661655

Year

2022 0.0

Keywords

target 1.0 visualization 0.18375033629270918 between 0.1678773204196933 docking 0.1415119720204466 potential 0.13989776701641107 energy 0.1089588377723971 analysis 0.096045197740113 experimental 0.065106268496099 novel 0.062146892655367235 interaction 0.04439063761097659 activity 0.036588646758138284 cell 0.03631961259079903 binding 0.029055690072639227 chemical 0.022329835889157924 synthesized 0.022060801721818672 surface 0.021522733387140166 well 0.021522733387140166 synthesis 0.018294323379069142 mechanism 0.01802528921172989 higher 0.009147161689534571 design 0.005918751681463546 adsorption 0.002959375840731773 stability 0.0016142050040355124 promising 5.380683346785041E-4 protein 0.0
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