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Application

Discovery Studio 1.0 Materials Studio 0.7197176684881603 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06940566414040686 Amorphous Cell 0.22975668129238133 Blends 0.0031910650179497405 CASTEP 0.4176306342241723 CDOCKER 0.21699242122058238 CHARMm 0.35061826884722774 COMPASS 0.3562026326286398 COMPASS III 0.035899481451934584 COSMObase 0.0 COSMOconf 0.0 COSMOmic 3.9888312724371757E-4 COSMOperm 0.0011966493817311527 COSMOplex 0.0 COSMOquick 0.0011966493817311527 COSMOtherm 0.05145592341443957 Catalyst 0.13841244515357 Classical Simulations 1.0 Conformers 0.0015955325089748703 Crystallization 0.07538891104906262 DFTB Plus 0.003988831272437176 DMol3 0.2018348623853211 DPD 0.0031910650179497405 Discover 0.005185480654168329 Forcite 0.464698843238931 GULP 0.031112883925009972 Kinetix 0.0 LUDI 0.0035899481451934583 LibDock 0.09094535301156761 LigandFit 0.006382130035899481 MCSS 0.0011966493817311527 MODELER 0.3310729956122856 MesoDyn 0.0023932987634623054 Mesocite 0.0043877143996808934 Mesoscale 0.009174311926605505 Morphology 0.014359792580773833 ONETEP 0.0015955325089748703 Polymorph 7.977662544874351E-4 QMERA 0.0 QSAR 0.0011966493817311527 Quantum Mechanics 0.6071001196649382 Reflex 0.059433585959313924 Semi-empirical 0.006781013163143199 Sorption 0.045871559633027525 Synthia 3.9888312724371757E-4 TURBOMOLE 3.9888312724371757E-4 VAMP 0.001994415636218588 Visualization 0.9880335061826885 X-Cell 0.0 ZDOCK 0.03669724770642202

Year

2024 0.0

Keywords

target 1.0 potential 0.3005456198848136 docking 0.26705062140042435 visualization 0.20748711730827524 analysis 0.2014246741436799 between 0.14504395271294332 novel 0.10685056077599273 binding 0.09017884207335557 activity 0.06956653531373143 energy 0.04637769020915429 promising 0.04440739618066081 interaction 0.04319490754774174 protein 0.038193391936950594 cell 0.027432555319793876 synthesized 0.02349196726280691 synthesis 0.019551379205819945 stability 0.018187329493785997 effective 0.017581085177326462 mechanism 0.01424674143679903 development 0.011215519854501364 including 0.007729615034859048 experimental 0.007426492876629282 vitro 0.007274931797514398 compound 0.002121855107608366 silico 0.0
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