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Application

Discovery Studio 1.0 Materials Studio 0.8176726820161793 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06509649983644096 Amorphous Cell 0.25482499182204776 Blends 0.002289826627412496 CASTEP 0.42198233562315995 CDOCKER 0.19496238141969252 CHARMm 0.3127248936866209 COMPASS 0.3765129211645404 COMPASS III 0.042525351651946354 COSMObase 9.813542688910696E-4 COSMOconf 6.542361792607131E-4 COSMOperm 0.0013084723585214263 COSMOplex 0.0 COSMOquick 6.542361792607131E-4 COSMOtherm 0.05593719332679097 Cantera 0.0 Catalyst 0.13150147203140333 Classical Simulations 1.0 Conformers 3.2711808963035657E-4 Crystallization 0.07687275106313379 DFTB Plus 0.00850507033038927 DMol3 0.1920183186130193 DPD 0.004252535165194635 Discover 0.003598298985933922 Forcite 0.47988223748773307 GULP 0.03173045469414459 LUDI 0.0032711808963035655 LibDock 0.08308799476611056 LigandFit 0.005888125613346418 MCSS 9.813542688910696E-4 MODELER 0.29538763493621195 MesoDyn 0.002944062806673209 Mesocite 0.004579653254824992 Mesoscale 0.009813542688910697 Morphology 0.01831861301929997 ONETEP 3.2711808963035657E-4 Polymorph 0.0016355904481517827 QMERA 0.0 QSAR 0.0016355904481517827 Quantum Mechanics 0.6028786391887472 Reflex 0.05691854759568204 Semi-empirical 0.011776251226692836 Sorption 0.040235525024533855 Synthia 0.001962708537782139 TURBOMOLE 6.542361792607131E-4 VAMP 0.0026169447170428526 Visualization 0.9097154072620216 X-Cell 3.2711808963035657E-4 ZDOCK 0.03271180896303565

Year

2024 0.0

Keywords

target 1.0 potential 0.2969151670951157 docking 0.2487146529562982 analysis 0.19640102827763495 visualization 0.1953727506426735 between 0.15347043701799487 novel 0.10295629820051413 binding 0.08264781491002571 activity 0.06323907455012853 energy 0.05912596401028278 promising 0.04704370179948586 interaction 0.04447300771208226 cell 0.0397172236503856 protein 0.03470437017994859 synthesized 0.024678663239074552 stability 0.02377892030848329 effective 0.02069408740359897 experimental 0.02056555269922879 synthesis 0.016323907455012852 development 0.015167095115681234 mechanism 0.014910025706940874 including 0.010154241645244215 compound 0.002313624678663239 vitro 3.8560411311053987E-4 silico 0.0
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