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Application

Discovery Studio 0.9816621983914209 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06504400440044004 Amorphous Cell 0.2786028602860286 Blends 0.0023377337733773377 CASTEP 0.37156215621562155 CDOCKER 0.1639163916391639 CHARMm 0.25646314631463146 COMPASS 0.3536853685368537 COMPASS III 0.0952970297029703 COSMObase 0.004262926292629263 COSMOconf 0.005363036303630363 COSMOmic 1.375137513751375E-4 COSMOperm 0.0012376237623762376 COSMOplex 2.75027502750275E-4 COSMOquick 0.0013751375137513752 COSMOtherm 0.06531903190319031 Catalyst 0.10423542354235424 Classical Simulations 1.0 Conformers 4.1254125412541255E-4 Crystallization 0.07205720572057206 DFTB Plus 0.005638063806380638 DMol3 0.16666666666666666 DPD 0.0020627062706270625 Discover 0.0033003300330033004 Forcite 0.5334158415841584 GULP 0.023514851485148515 Kinetix 2.75027502750275E-4 LUDI 0.0033003300330033004 LibDock 0.07013201320132013 LigandFit 0.004675467546754675 MCSS 2.75027502750275E-4 MODELER 0.21438393839383937 MesoDyn 9.625962596259626E-4 Mesocite 0.0027502750275027505 Mesoscale 0.005638063806380638 Modules 0.0 Morphology 0.017051705170517052 ONETEP 8.250825082508251E-4 Polymorph 0.0020627062706270625 QMERA 1.375137513751375E-4 QSAR 9.625962596259626E-4 Quantum Mechanics 0.5273652365236524 Reflex 0.05211771177117712 Reflex Plus 9.625962596259626E-4 Semi-empirical 0.007013201320132013 Sorption 0.05706820682068207 Synthia 0.0017876787678767878 TURBOMOLE 4.1254125412541255E-4 VAMP 9.625962596259626E-4 Visualization 0.7835533553355336 X-Cell 0.0013751375137513752 ZDOCK 0.029152915291529153

Year

2022 0.011012235817575083 2023 0.21512791991101224 2024 0.5151279199110123 2025 1.0 2026 0.47252502780867633 2027 0.0

Keywords

target 1.0 potential 0.28988399650742175 docking 0.2173506299114382 analysis 0.20051141324685046 visualization 0.18972184108768866 between 0.15186478732693026 novel 0.09960084819758014 energy 0.08438318573032307 promising 0.07035050517649993 binding 0.07016340276911563 cell 0.062429836597230885 activity 0.051078957215916175 stability 0.03604839715604341 performance 0.03293002369963827 interaction 0.0246351503056006 synthesized 0.023699638268679057 experimental 0.02313833104652613 development 0.01908444555319945 including 0.017587626294124983 effective 0.01752525882499688 mechanism 0.01658974678807534 protein 0.009729325183984033 synthesis 0.005488337283273045 design 5.61307222152925E-4 enhanced 0.0
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