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Application

Discovery Studio 1.0 Materials Studio 0.013572770933389017 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.003198720511795282 Amorphous Cell 0.001599360255897641 CASTEP 7.996801279488205E-4 CDOCKER 0.21711315473810475 CHARMm 0.36945221911235504 COMPASS 0.003598560575769692 COMPASS III 0.0027988804478208716 COSMOtherm 7.996801279488205E-4 Catalyst 0.14434226309476209 Classical Simulations 0.3834466213514594 Crystallization 0.001999200319872051 DMol3 0.008796481407437025 Forcite 0.008396641343462616 LUDI 0.004398240703718513 LibDock 0.09636145541783286 LigandFit 0.0023990403838464614 MCSS 0.0 MODELER 0.3322670931627349 Polymorph 0.0 QSAR 3.9984006397441024E-4 Quantum Mechanics 0.009996001599360257 Reflex 0.001599360255897641 Sorption 7.996801279488205E-4 Visualization 1.0 X-Cell 7.996801279488205E-4 ZDOCK 0.028388644542183126

Year

2023 0.05283672585534863 2024 0.9774794283239497 2025 1.0 2026 0.0

Keywords

docking 1.0 target 0.965412004069176 potential 0.5333163784333672 visualization 0.40310274669379453 analysis 0.3837741607324517 binding 0.3090030518819939 activity 0.16683621566632756 novel 0.1482706002034588 protein 0.13758901322482198 silico 0.12182095625635808 vitro 0.10681586978636826 promising 0.09893184130213632 therapeutic 0.09028484231943032 between 0.08240081383519837 compound 0.07985757884028484 inhibition 0.07502543234994914 drug 0.06586978636826042 synthesis 0.05213631739572736 synthesized 0.045015259409969484 interaction 0.04450661241098677 including 0.030010172939979655 treatment 0.020600203458799593 potent 0.010681586978636826 stability 0.009664292980671414 development 0.0
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