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Application

Discovery Studio 1.0 Materials Studio 0.5982042648709316 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.046819787985865724 Amorphous Cell 0.23498233215547704 Blends 0.0017667844522968198 CASTEP 0.18992932862190812 CDOCKER 0.21819787985865724 CHARMm 0.3542402826855124 COMPASS 0.2871024734982332 COMPASS III 0.1068904593639576 COSMObase 0.00265017667844523 COSMOconf 0.007950530035335688 COSMOmic 0.0 COSMOperm 8.833922261484099E-4 COSMOtherm 0.060954063604240286 Catalyst 0.10512367491166077 Classical Simulations 1.0 Crystallization 0.06978798586572438 DFTB Plus 0.0017667844522968198 DMol3 0.08392226148409894 DPD 0.0017667844522968198 Discover 0.0035335689045936395 Forcite 0.4628975265017668 GULP 0.007067137809187279 Kinetix 0.0 LUDI 0.0017667844522968198 LibDock 0.09098939929328621 LigandFit 0.0035335689045936395 MODELER 0.3136042402826855 Mesocite 0.00265017667844523 Mesoscale 0.00441696113074205 Morphology 0.014134275618374558 ONETEP 0.0017667844522968198 Polymorph 8.833922261484099E-4 Quantum Mechanics 0.27385159010600707 Reflex 0.05123674911660778 Reflex Plus 0.0 Semi-empirical 0.0017667844522968198 Sorption 0.05653710247349823 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.8657243816254417 X-Cell 0.0 ZDOCK 0.037102473498233215

Year

2025 1.0 2026 0.6480477223427332 2027 0.0

Keywords

target 1.0 potential 0.3436861463015938 docking 0.30159378831221906 analysis 0.24029423784225581 visualization 0.21577441765427052 binding 0.11810380057212914 novel 0.1058438904781365 between 0.10543522680833674 promising 0.10134859011033918 activity 0.07846342460155292 therapeutic 0.06129955046996322 cell 0.04004903964037597 including 0.03596240294237842 strong 0.03228442991418063 stability 0.029015120555782592 protein 0.018389865140988965 development 0.01798120147118921 synthesized 0.015529219452390683 energy 0.009807928075194115 mechanism 0.009807928075194115 effective 0.006947282386595832 strategy 0.0032693093583980384 silico 0.0012259910093992644 inhibition 8.173273395995096E-4 synthesis 0.0
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