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Application

Discovery Studio 1.0 Materials Studio 0.7959810214903712 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05175743530320587 Amorphous Cell 0.25878717651602934 Blends 7.72499034376207E-4 CASTEP 0.26844341444573194 CDOCKER 0.1981460023174971 CHARMm 0.31247585940517575 COMPASS 0.32135959830050215 COMPASS III 0.10892236384704519 COSMObase 0.003862495171881035 COSMOconf 0.006179992275009656 COSMOmic 0.0 COSMOperm 3.862495171881035E-4 COSMOplex 3.862495171881035E-4 COSMOquick 3.862495171881035E-4 COSMOtherm 0.056778679026651215 Catalyst 0.08729239088451139 Classical Simulations 1.0 Conformers 3.862495171881035E-4 Crystallization 0.07145616067979915 DFTB Plus 0.0034762456546929316 DMol3 0.12823483970645036 DPD 0.0019312475859405175 Discover 0.003862495171881035 Forcite 0.4943993820007725 GULP 0.012359984550019312 Kinetix 0.0 LUDI 0.003089996137504828 LibDock 0.07840865198918501 LigandFit 0.004248744689069139 MODELER 0.287369640787949 Mesocite 0.003089996137504828 Mesoscale 0.004634994206257242 Morphology 0.016222479721900347 ONETEP 7.72499034376207E-4 Polymorph 0.002317497103128621 QMERA 0.0 Quantum Mechanics 0.39165701042873696 Reflex 0.051371185786017765 Reflex Plus 7.72499034376207E-4 Semi-empirical 0.004634994206257242 Sorption 0.05909617612977984 Synthia 7.72499034376207E-4 TURBOMOLE 0.0 VAMP 3.862495171881035E-4 Visualization 0.7616840478949402 X-Cell 7.72499034376207E-4 ZDOCK 0.03167246040942449

Year

2024 0.16462137084705178 2025 1.0 2026 0.8910505836575876 2027 0.0

Keywords

target 1.0 potential 0.33774707349836885 docking 0.2654001151410478 analysis 0.2362310497025523 visualization 0.1871042026482441 between 0.1268470543081942 promising 0.09403185568988678 binding 0.09172903473421608 novel 0.0913452312416043 activity 0.06217616580310881 cell 0.051621569756284784 energy 0.051237766263673 stability 0.03243139512569564 including 0.027250047975436578 strong 0.02206870082517751 performance 0.014392630972941854 development 0.013241220495106506 synthesized 0.01247361350988294 therapeutic 0.010938399539435808 effective 0.009978890807906352 protein 0.009595087315294569 mechanism 0.006524659374400307 enhanced 0.0013433122241412398 strategy 1.9190174630589137E-4 interaction 0.0
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