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Application

Discovery Studio 0.9178620039786409 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0692618806875632 Amorphous Cell 0.282103134479272 Blends 0.002744474938610429 CASTEP 0.4298714430160335 CDOCKER 0.16488516539072656 CHARMm 0.2422360248447205 COMPASS 0.3844431604795609 COMPASS III 0.07229524772497473 COSMObase 0.002744474938610429 COSMOconf 0.00325003611151235 COSMOmic 2.888920988010978E-4 COSMOperm 0.00130001444460494 COSMOplex 4.3333814820164666E-4 COSMOquick 0.0016611295681063123 COSMOtherm 0.06507294525494728 Cantera 7.222302470027445E-5 Catalyst 0.11613462371804131 Classical Simulations 1.0 Conformers 0.00130001444460494 Crystallization 0.07893976599739998 DFTB Plus 0.006283403148923877 DMol3 0.19919110212335692 DPD 0.003394482160912899 Discover 0.005561172901921132 Forcite 0.5435504838942655 GULP 0.02809475660840676 Kinetix 2.1666907410082333E-4 LUDI 0.005127834753719486 LibDock 0.06651740574895276 LigandFit 0.006716741297125524 MCSS 0.0011555683952043912 MODELER 0.1755019500216669 MesoDyn 0.0018777986422071355 Mesocite 0.004477827531417016 Mesoscale 0.008305647840531562 Modules 0.0 Morphology 0.018633540372670808 ONETEP 0.00130001444460494 Polymorph 0.0020222446916076846 QMERA 4.3333814820164666E-4 QSAR 0.0015889065434060378 Quantum Mechanics 0.6158457316192402 Reflex 0.05828398093312148 Reflex Plus 7.222302470027445E-4 Semi-empirical 0.008738985988733208 Sorption 0.055900621118012424 Synthia 0.0015166835187057635 TURBOMOLE 5.777841976021956E-4 VAMP 0.0018777986422071355 Visualization 0.8325148057200635 X-Cell 0.0012277914199046655 ZDOCK 0.02838364870720786

Year

2020 0.019403490933740043 2021 0.15615997288595154 2022 0.28944246737841045 2023 0.5387222504660227 2024 1.0 2025 0.9690730384680563 2026 0.3601931875953228 2027 0.0

Keywords

target 1.0 potential 0.2508858965272856 docking 0.19736233938310788 visualization 0.19677687733029303 analysis 0.17141712630573444 between 0.15379163713678243 novel 0.09330416294333344 energy 0.08781930792222599 binding 0.06054910177795581 cell 0.05876190182725788 activity 0.04403290913012665 promising 0.04052013681323761 interaction 0.036452716235787136 experimental 0.031984716359042306 stability 0.025544633778079067 synthesized 0.025174868271038115 performance 0.018950482235848765 mechanism 0.01697839953163036 effective 0.01454410994361076 development 0.01232551690136505 protein 0.011185406587988785 synthesis 0.009090068714756726 including 0.005669737774627924 chemical 0.003666841278156103 design 0.0
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