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Application

Discovery Studio 1.0 Materials Studio 0.6732329084588644 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08500772797527048 Amorphous Cell 0.3168469860896445 Blends 0.0 CASTEP 0.14219474497681608 CDOCKER 0.16383307573415765 CHARMm 0.33075734157650694 COMPASS 0.3693972179289026 COMPASS III 0.07573415765069552 COSMObase 0.0 COSMOconf 0.0015455950540958269 COSMOmic 0.0 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.04173106646058733 Catalyst 0.08346213292117466 Classical Simulations 1.0 Crystallization 0.0401854714064915 DFTB Plus 0.0077279752704791345 DMol3 0.1205564142194745 DPD 0.0015455950540958269 Discover 0.0015455950540958269 Forcite 0.5224111282843895 GULP 0.015455950540958269 LUDI 0.0015455950540958269 LibDock 0.07109737248840804 LigandFit 0.0 MODELER 0.29675425038639874 Mesocite 0.0030911901081916537 Mesoscale 0.0030911901081916537 Morphology 0.010819165378670788 ONETEP 0.0 Polymorph 0.0 QMERA 0.0 Quantum Mechanics 0.25193199381761977 Reflex 0.02627511591962906 Semi-empirical 0.00927357032457496 Sorption 0.0571870170015456 Visualization 0.6630602782071098 X-Cell 0.0 ZDOCK 0.05100463678516229

Year

2023 0.04551045510455105 2024 0.6002460024600246 2025 1.0 2026 0.23739237392373924 2027 0.0

Keywords

interaction 1.0 target 0.9293937068303914 between 0.4182655410590944 potential 0.3353798925556408 docking 0.3254029163468918 analysis 0.2893323100537222 binding 0.21795855717574827 visualization 0.15349194167306215 energy 0.11511895625479662 mechanism 0.0997697620874904 cell 0.08058326937835764 protein 0.07828089025326171 novel 0.06216423637759018 promising 0.051419800460475826 stability 0.051419800460475826 experimental 0.04528012279355334 including 0.0422102839600921 strong 0.03760552570990023 effective 0.03607060629316961 therapeutic 0.03300076745970836 activity 0.029930928626247123 development 0.02762854950115119 drug 0.026093630084420567 complex 0.00920951650038373 role 0.0
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