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Application

Discovery Studio 1.0 Materials Studio 0.015236160487557136 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.008 Amorphous Cell 0.0035555555555555557 CASTEP 0.0044444444444444444 CDOCKER 0.12355555555555556 CHARMm 0.3413333333333333 COMPASS 0.008888888888888889 COMPASS III 0.0026666666666666666 COSMOperm 8.888888888888889E-4 COSMOtherm 0.013333333333333334 Catalyst 0.15466666666666667 Classical Simulations 0.36977777777777776 DFTB Plus 0.0 DMol3 0.009777777777777778 Forcite 0.020444444444444446 Kinetix 0.0 LUDI 0.0071111111111111115 LibDock 0.041777777777777775 LigandFit 0.008 MCSS 0.0 MODELER 0.2782222222222222 Quantum Mechanics 0.014222222222222223 Semi-empirical 8.888888888888889E-4 Sorption 8.888888888888889E-4 VAMP 0.0 Visualization 1.0 ZDOCK 0.015111111111111112

Year

2023 0.004887585532746823 2024 1.0 2025 0.9423264907135875 2026 0.0

Keywords

silico 1.0 target 0.9545729860690491 docking 0.6493034524530588 potential 0.5651120533010296 visualization 0.44457904300423984 analysis 0.3670502725620836 vitro 0.3131435493640218 binding 0.2737734706238643 activity 0.2023016353725015 promising 0.12719563900666264 inhibition 0.10841913991520291 novel 0.10841913991520291 protein 0.10841913991520291 drug 0.10175651120533011 therapeutic 0.08540278619018776 compound 0.08237431859479104 including 0.04784978800726832 synthesized 0.04663840096910963 synthesis 0.04239854633555421 potent 0.029678982434887948 stability 0.024227740763173834 binding affinity 0.016959418534221685 between 0.010902483343428226 treatment 0.007874015748031496 interaction 0.0
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