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Application

Discovery Studio 1.0 Materials Studio 0.5383222691611346 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07553776888444222 Amorphous Cell 0.2971485742871436 Blends 0.00400200100050025 CASTEP 0.14207103551775888 CDOCKER 0.19709854927463732 CHARMm 0.35467733866933465 COMPASS 0.35767883941970985 COMPASS III 0.06303151575787894 COSMObase 0.002001000500250125 COSMOconf 0.0030015007503751876 COSMOmic 0.0 COSMOperm 5.002501250625312E-4 COSMOquick 0.0010005002501250625 COSMOtherm 0.04452226113056528 Catalyst 0.11255627813906953 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.03651825912956478 DFTB Plus 0.010505252626313157 DMol3 0.1375687843921961 DPD 0.0025012506253126563 Discover 0.00400200100050025 Forcite 0.49024512256128067 GULP 0.010505252626313157 LUDI 0.007003501750875438 LibDock 0.0815407703851926 LigandFit 0.0025012506253126563 MCSS 0.0010005002501250625 MODELER 0.2381190595297649 MesoDyn 5.002501250625312E-4 Mesocite 0.005502751375687844 Mesoscale 0.007003501750875438 Morphology 0.013506753376688344 ONETEP 0.0015007503751875938 Polymorph 0.0010005002501250625 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.2671335667833917 Reflex 0.022011005502751375 Reflex Plus 0.0 Semi-empirical 0.013006503251625813 Sorption 0.04852426213106553 Synthia 0.0010005002501250625 TURBOMOLE 0.0 VAMP 0.0015007503751875938 Visualization 0.9789894947473737 X-Cell 0.0 ZDOCK 0.057028514257128564

Year

2021 0.11679711017459361 2022 0.29741119807344973 2023 0.5827814569536424 2024 1.0 2025 0.9939795304033715 2026 0.24142083082480434 2027 0.0

Keywords

interaction 1.0 target 0.952881875958799 between 0.4017094017094017 docking 0.37343852728468113 potential 0.3050624589086128 analysis 0.2754766600920447 visualization 0.25443786982248523 binding 0.22068814376506685 protein 0.11133026517641902 energy 0.0994959456497918 mechanism 0.09138724523339908 novel 0.06618452772298926 cell 0.0628972167433706 stability 0.04887135656366426 activity 0.04865220249835635 drug 0.03002410694718387 complex 0.027613412228796843 experimental 0.027613412228796843 including 0.021915406530791146 silico 0.017313171159325007 development 0.015779092702169626 effective 0.012272627657243042 promising 0.008327854481700635 strong 0.007889546351084813 role 0.0
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