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Application

Discovery Studio 1.0 Materials Studio 0.553921568627451 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08886255924170616 Amorphous Cell 0.28080568720379145 Blends 0.002369668246445498 CASTEP 0.12085308056872038 CDOCKER 0.17772511848341233 CHARMm 0.37203791469194314 COMPASS 0.3104265402843602 COMPASS III 0.0924170616113744 COSMObase 0.002369668246445498 COSMOconf 0.004739336492890996 COSMOquick 0.001184834123222749 COSMOtherm 0.0533175355450237 Catalyst 0.07819905213270142 Classical Simulations 1.0 Crystallization 0.035545023696682464 DFTB Plus 0.004739336492890996 DMol3 0.1018957345971564 Discover 0.001184834123222749 Forcite 0.4597156398104265 GULP 0.011848341232227487 LUDI 0.002369668246445498 LibDock 0.07938388625592417 LigandFit 0.001184834123222749 MODELER 0.3175355450236967 MesoDyn 0.0 Mesocite 0.002369668246445498 Mesoscale 0.0035545023696682463 Morphology 0.015402843601895734 ONETEP 0.0 Polymorph 0.0 QMERA 0.0 Quantum Mechanics 0.2132701421800948 Reflex 0.017772511848341232 Semi-empirical 0.005924170616113744 Sorption 0.0485781990521327 Synthia 0.0 Visualization 0.7002369668246445 X-Cell 0.0 ZDOCK 0.05924170616113744

Year

2024 0.5212962962962963 2025 1.0 2026 0.3712962962962963 2027 0.0

Keywords

interaction 1.0 target 0.9302325581395349 between 0.40755813953488373 docking 0.36046511627906974 potential 0.35 analysis 0.2930232558139535 binding 0.22209302325581395 visualization 0.15872093023255815 mechanism 0.08662790697674419 energy 0.08546511627906976 protein 0.07790697674418605 stability 0.07034883720930232 cell 0.05930232558139535 novel 0.0563953488372093 promising 0.05232558139534884 including 0.05116279069767442 strong 0.04302325581395349 activity 0.037209302325581395 therapeutic 0.03372093023255814 effective 0.018604651162790697 development 0.01686046511627907 experimental 0.009883720930232558 complex 0.00813953488372093 drug 0.0069767441860465115 role 0.0
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