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Application

Discovery Studio 0.8422330097087378 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0621510978786751 Amorphous Cell 0.2906587272050614 Blends 0.002232973576479345 CASTEP 0.3107554893933755 CDOCKER 0.14774841831038332 CHARMm 0.23781168589505025 COMPASS 0.35429847413472276 COMPASS III 0.11202084108671381 COSMObase 0.004838109415705247 COSMOconf 0.006698920729438035 COSMOmic 0.0 COSMOperm 7.44324525493115E-4 COSMOplex 3.721622627465575E-4 COSMOquick 0.0 COSMOtherm 0.06810569408262002 Catalyst 0.06550055824339412 Classical Simulations 1.0 Conformers 3.721622627465575E-4 Crystallization 0.07740975065128396 DFTB Plus 0.003721622627465575 DMol3 0.14774841831038332 DPD 0.002232973576479345 Discover 0.00446594715295869 Forcite 0.5481950130256792 GULP 0.014514328247115743 Kinetix 0.0 LUDI 0.0026051358392259025 LibDock 0.05805731298846297 LigandFit 0.00297729810197246 MODELER 0.2162262746557499 Mesocite 0.0033494603647190174 Mesoscale 0.005210271678451805 Morphology 0.01786378861183476 ONETEP 0.0011164867882396724 Polymorph 0.0018608113137327876 QMERA 3.721622627465575E-4 QSAR 0.0 Quantum Mechanics 0.4518049869743208 Reflex 0.056196501674730184 Reflex Plus 3.721622627465575E-4 Semi-empirical 0.005210271678451805 Sorption 0.05880163751395608 Synthia 7.44324525493115E-4 TURBOMOLE 0.0 VAMP 3.721622627465575E-4 Visualization 0.6166728693710458 X-Cell 0.0018608113137327876 ZDOCK 0.024562709341272793

Year

2024 0.05530642750373692 2025 0.9213751868460389 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.3048780487804878 analysis 0.2231107556977209 docking 0.1989204318272691 visualization 0.15053978408636545 between 0.14634146341463414 promising 0.09456217512994802 energy 0.08776489404238305 novel 0.08396641343462614 cell 0.07257097161135546 binding 0.06797281087564974 performance 0.06357457017193123 stability 0.04998000799680128 activity 0.03838464614154338 strong 0.031187524990004 including 0.026789284286285485 enhanced 0.02578968412634946 strategy 0.024790083966413436 mechanism 0.021591363454618154 effective 0.01679328268692523 development 0.016593362654938024 experimental 0.015593762495002 synthesized 0.009796081567373051 design 0.007996801279488205 interaction 0.0
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