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Application

Discovery Studio 1.0 Materials Studio 0.5492633517495396 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08063354931605471 Amorphous Cell 0.2937365010799136 Blends 0.0021598272138228943 CASTEP 0.13102951763858892 CDOCKER 0.18142548596112312 CHARMm 0.36069114470842334 COMPASS 0.34053275737940963 COMPASS III 0.07271418286537078 COSMObase 0.0014398848092152627 COSMOconf 0.004319654427645789 COSMOmic 0.0 COSMOperm 7.199424046076314E-4 COSMOquick 7.199424046076314E-4 COSMOtherm 0.0503959683225342 Catalyst 0.10583153347732181 Classical Simulations 1.0 Crystallization 0.03815694744420446 DFTB Plus 0.007199424046076314 DMol3 0.12455003599712024 DPD 0.0028797696184305254 Discover 0.0028797696184305254 Forcite 0.4888408927285817 GULP 0.010079193664506839 LUDI 0.005759539236861051 LibDock 0.08207343412526998 LigandFit 7.199424046076314E-4 MODELER 0.27717782577393807 MesoDyn 7.199424046076314E-4 Mesocite 0.005759539236861051 Mesoscale 0.007919366450683946 Morphology 0.01655867530597552 ONETEP 0.0021598272138228943 Polymorph 7.199424046076314E-4 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.24478041756659466 Reflex 0.020158387329013677 Reflex Plus 0.0 Semi-empirical 0.008639308855291577 Sorption 0.0503959683225342 Synthia 7.199424046076314E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.8531317494600432 X-Cell 0.0 ZDOCK 0.05687544996400288

Year

2022 0.004490057729313663 2023 0.3444515715202053 2024 0.6889031430404106 2025 1.0 2026 0.2572161642078255 2027 0.0

Keywords

interaction 1.0 target 0.9419183538001992 between 0.41022236973116494 docking 0.3611018918021905 potential 0.3269166943245934 analysis 0.2768005310321938 binding 0.22170594092266843 visualization 0.20776634583471623 protein 0.09624958513109858 energy 0.09226684367739794 mechanism 0.08596083637570527 stability 0.05376700962495851 cell 0.05243942914039164 novel 0.04779289744440757 activity 0.03883172917358115 including 0.023564553601062063 experimental 0.01692665117822768 strong 0.015930965814802522 complex 0.015267175572519083 drug 0.015267175572519083 development 0.014271490209093926 promising 0.014271490209093926 effective 0.009293063391968137 therapeutic 0.0069697975439761035 silico 0.0
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