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Application

Discovery Studio 1.0 Materials Studio 0.8667582417582418 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05137289636846767 Amorphous Cell 0.26395039858281666 Blends 0.0022143489813994687 CASTEP 0.27192205491585475 CDOCKER 0.18290522586359612 CHARMm 0.2945084145261293 COMPASS 0.32683790965456155 COMPASS III 0.112488928255093 COSMObase 0.003985828166519044 COSMOconf 0.006643046944198406 COSMOmic 0.0 COSMOperm 4.428697962798937E-4 COSMOplex 4.428697962798937E-4 COSMOtherm 0.06200177147918512 Catalyst 0.08148804251550044 Classical Simulations 1.0 Conformers 4.428697962798937E-4 Crystallization 0.07174490699734277 DFTB Plus 0.003100088573959256 DMol3 0.1266607617360496 DPD 0.001328609388839681 Discover 0.003100088573959256 Forcite 0.5053144375553588 GULP 0.013286093888396812 Kinetix 0.0 LUDI 0.003100088573959256 LibDock 0.07617360496014172 LigandFit 0.00354295837023915 MODELER 0.27192205491585475 Mesocite 0.003985828166519044 Mesoscale 0.00487156775907883 Morphology 0.015943312666076175 ONETEP 8.857395925597874E-4 Polymorph 0.0022143489813994687 QMERA 0.0 Quantum Mechanics 0.3937112488928255 Reflex 0.05225863596102746 Reflex Plus 0.0 Semi-empirical 0.003985828166519044 Sorption 0.05845881310894597 Synthia 8.857395925597874E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7174490699734278 X-Cell 0.001328609388839681 ZDOCK 0.032329495128432244

Year

2024 0.01675041876046901 2025 1.0 2026 0.9410385259631491 2027 0.0

Keywords

target 1.0 potential 0.33810172570390556 docking 0.2506811989100817 analysis 0.23024523160762944 visualization 0.17415985467756584 between 0.12693006357856493 promising 0.09809264305177112 novel 0.09377838328792007 binding 0.0860581289736603 activity 0.055177111716621256 cell 0.0522252497729337 energy 0.05108991825613079 stability 0.03792007266121707 strong 0.030653950953678476 including 0.02815622161671208 performance 0.025658492279745686 development 0.016802906448683014 therapeutic 0.012942779291553134 effective 0.011807447774750226 mechanism 0.009536784741144414 enhanced 0.006811989100817439 strategy 0.006130790190735695 synthesized 0.003860127157129882 protein 2.2706630336058128E-4 interaction 0.0
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