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Application

Discovery Studio 1.0 Materials Studio 0.7466898954703832 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04970178926441352 Amorphous Cell 0.2524850894632207 Blends 0.002485089463220676 CASTEP 0.24801192842942346 CDOCKER 0.20377733598409542 CHARMm 0.3220675944333996 COMPASS 0.3136182902584493 COMPASS III 0.1073558648111332 COSMObase 0.002485089463220676 COSMOconf 0.0064612326043737576 COSMOmic 0.0 COSMOperm 4.970178926441351E-4 COSMOplex 4.970178926441351E-4 COSMOtherm 0.055666003976143144 Catalyst 0.08946322067594434 Classical Simulations 1.0 Conformers 4.970178926441351E-4 Crystallization 0.07157057654075547 DFTB Plus 0.0019880715705765406 DMol3 0.1172962226640159 DPD 0.0014910536779324055 Discover 0.0034791252485089465 Forcite 0.4915506958250497 GULP 0.010437375745526839 Kinetix 0.0 LUDI 0.002982107355864811 LibDock 0.08200795228628231 LigandFit 0.003976143141153081 MODELER 0.2937375745526839 Mesocite 0.003976143141153081 Mesoscale 0.004970178926441352 Morphology 0.015904572564612324 ONETEP 9.940357852882703E-4 Polymorph 0.0019880715705765406 QMERA 0.0 Quantum Mechanics 0.36182902584493043 Reflex 0.052186878727634195 Reflex Plus 0.0 Semi-empirical 0.002982107355864811 Sorption 0.055168986083499 Synthia 9.940357852882703E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7793240556660039 X-Cell 0.0014910536779324055 ZDOCK 0.0352882703777336

Year

2024 0.017152658662092625 2025 1.0 2026 0.8120068610634649 2027 0.0

Keywords

target 1.0 potential 0.34607890891378473 docking 0.27447637603507063 analysis 0.2328300048709206 visualization 0.1914271797369703 between 0.12201656113005357 novel 0.10107160253287871 binding 0.09912323429128105 promising 0.09766195811008281 activity 0.06624452021432051 cell 0.047978567949342424 stability 0.03726254262055528 including 0.03385289819775938 energy 0.032878714076960545 strong 0.031173891865562593 therapeutic 0.027277155382367267 development 0.021919142717973697 mechanism 0.011446663419386265 protein 0.01071602532878714 effective 0.00974184120798831 performance 0.009498295177788602 synthesized 0.0063321967851924016 interaction 0.0031660983925962008 strategy 0.0031660983925962008 enhanced 0.0
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