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Application

Discovery Studio 1.0 Materials Studio 0.014434643143544507 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0 Amorphous Cell 0.0 CASTEP 0.0035650623885918 CDOCKER 0.25668449197860965 CHARMm 0.49376114081996436 COMPASS 0.0017825311942959 COMPASS III 0.0035650623885918 COSMOconf 0.0 COSMOtherm 0.0071301247771836 Catalyst 0.08377896613190731 Classical Simulations 0.5169340463458111 Crystallization 0.0035650623885918 DMol3 0.0035650623885918 Forcite 0.0106951871657754 GULP 0.0017825311942959 LUDI 0.008912655971479501 LibDock 0.13368983957219252 LigandFit 0.0035650623885918 MODELER 0.5240641711229946 Mesocite 0.0 Mesoscale 0.0 Polymorph 0.0 Quantum Mechanics 0.008912655971479501 Reflex 0.0017825311942959 Sorption 0.0017825311942959 Visualization 1.0 X-Cell 0.0 ZDOCK 0.07308377896613191

Year

2024 0.2773645058448459 2025 1.0 2026 0.0

Keywords

protein 1.0 target 0.9644619940769991 docking 0.5883514313919053 potential 0.5320829220138203 analysis 0.351431391905232 binding 0.33168805528134254 visualization 0.29911154985192495 therapeutic 0.12339585389930899 novel 0.09970384995064166 activity 0.09772951628825272 promising 0.08094768015794669 silico 0.06515301085883514 stability 0.06515301085883514 between 0.05824284304047384 treatment 0.034550839091806514 drug 0.03257650542941757 vitro 0.03257650542941757 including 0.029615004935834157 interaction 0.029615004935834157 modeler 0.027640671273445213 role 0.01085883514313919 development 0.008884501480750246 binding affinity 0.0019743336623889436 inhibition 9.871668311944718E-4 compound 0.0
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