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Application

Discovery Studio 1.0 Materials Studio 0.014180374361883154 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.004347826086956522 Amorphous Cell 0.0026755852842809363 CASTEP 0.001003344481605351 CDOCKER 0.19464882943143813 CHARMm 0.3204013377926421 COMPASS 0.005351170568561873 COMPASS III 0.0023411371237458192 COSMOperm 0.0 COSMOtherm 0.001003344481605351 Catalyst 0.16020066889632106 Classical Simulations 0.3357859531772575 Crystallization 0.0016722408026755853 DMol3 0.008026755852842809 Forcite 0.008695652173913044 LUDI 0.0030100334448160534 LibDock 0.08528428093645485 LigandFit 0.004347826086956522 MODELER 0.23043478260869565 Polymorph 0.0 QSAR 0.0 Quantum Mechanics 0.009364548494983277 Reflex 0.0013377926421404682 Sorption 6.688963210702341E-4 Visualization 1.0 X-Cell 3.3444816053511704E-4 ZDOCK 0.025752508361204015

Year

2022 0.08562121917170777 2023 0.5881805490926012 2024 0.7417403443462075 2025 1.0 2026 0.0

Keywords

docking 1.0 target 0.9645552252458267 potential 0.49348273496455525 visualization 0.4584953121426938 analysis 0.34850217242167847 binding 0.30391035902126684 activity 0.16990624285387607 novel 0.14841070203521609 protein 0.14772467413674822 silico 0.12622913331808827 vitro 0.10793505602561171 compound 0.09215641436085067 drug 0.0830093757146124 between 0.07957923622227304 inhibition 0.0718042533729705 promising 0.06837411388063115 synthesis 0.06631603018522753 interaction 0.06585867825291562 therapeutic 0.06471529842213583 synthesized 0.06059913103132861 treatment 0.024925680310999315 including 0.01829407729247656 potent 0.008918362680082323 stability 9.14703864623828E-4 development 0.0
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