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Application

Discovery Studio 1.0 Materials Studio 0.021756647864625302 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0034965034965034965 Amorphous Cell 0.005244755244755245 CASTEP 0.0034965034965034965 CDOCKER 0.22727272727272727 CHARMm 0.48776223776223776 COMPASS 0.0017482517482517483 COMPASS III 0.0017482517482517483 COSMOconf 0.0017482517482517483 COSMOquick 0.0 COSMOtherm 0.005244755244755245 Catalyst 0.11188811188811189 Classical Simulations 0.513986013986014 Crystallization 0.005244755244755245 DFTB Plus 0.0 DMol3 0.01048951048951049 Forcite 0.013986013986013986 GULP 0.0 LUDI 0.0017482517482517483 LibDock 0.1258741258741259 LigandFit 0.005244755244755245 MODELER 0.5 Polymorph 0.0 Quantum Mechanics 0.015734265734265736 Reflex 0.0034965034965034965 Semi-empirical 0.0 Sorption 0.0034965034965034965 Visualization 1.0 X-Cell 0.0 ZDOCK 0.08041958041958042

Year

2023 0.03453453453453453 2024 1.0 2025 0.7852852852852853 2026 0.0

Keywords

protein 1.0 target 0.9631782945736435 docking 0.5881782945736435 potential 0.4951550387596899 analysis 0.34205426356589147 binding 0.3246124031007752 visualization 0.3187984496124031 novel 0.12209302325581395 activity 0.1065891472868217 therapeutic 0.09786821705426356 between 0.09302325581395349 drug 0.07751937984496124 promising 0.07364341085271318 interaction 0.07170542635658915 silico 0.07170542635658915 stability 0.0562015503875969 vitro 0.04941860465116279 modeler 0.03875968992248062 treatment 0.03391472868217054 including 0.029069767441860465 development 0.020348837209302327 role 0.018410852713178296 compound 0.009689922480620155 binding affinity 0.0048449612403100775 inhibition 0.0
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