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Application

Discovery Studio 1.0 Materials Studio 0.017613755504298594 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.003281378178835111 Amorphous Cell 0.007793273174733388 CASTEP 0.007383100902378999 CDOCKER 0.23625922887612796 CHARMm 0.37653814602132896 COMPASS 0.012715340442986054 COMPASS III 0.0016406890894175555 COSMOperm 0.0 COSMOtherm 0.0012305168170631665 Catalyst 0.1501230516817063 Classical Simulations 0.4027891714520098 Crystallization 0.002461033634126333 DFTB Plus 0.0 DMol3 0.003281378178835111 Forcite 0.017227235438884332 GULP 0.0012305168170631665 LUDI 0.0036915504511894994 LibDock 0.09885151763740771 LigandFit 0.007383100902378999 MCSS 0.0012305168170631665 MODELER 0.3601312551271534 MesoDyn 0.0 Mesoscale 0.0 Morphology 4.1017227235438887E-4 Quantum Mechanics 0.01066447908121411 Reflex 0.0016406890894175555 Semi-empirical 0.0 Sorption 8.203445447087777E-4 Visualization 1.0 ZDOCK 0.03978671041837572

Year

2024 0.0

Keywords

target 1.0 docking 0.5641883200411628 potential 0.4337535374324672 visualization 0.4154875225109339 analysis 0.2811937226652946 binding 0.2181631077952148 activity 0.1682531515307435 protein 0.1564188320041163 novel 0.1489580653460252 vitro 0.09416002058142527 silico 0.08952919989709288 between 0.07306405968613326 drug 0.06380241831746848 compound 0.05737072292256239 promising 0.05556984821198868 therapeutic 0.05531258039619243 synthesis 0.04836634936969385 treatment 0.04708001029071263 inhibition 0.04579367121173141 interaction 0.039876511448417806 synthesized 0.018266014921533315 potent 0.01646514021095961 development 0.012348855158219707 modeler 0.012348855158219707 including 0.0
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