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Application

Discovery Studio 1.0 Materials Studio 0.6528576908323743 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.044589774078478 Amorphous Cell 0.24910820451843044 Blends 0.0011890606420927466 CASTEP 0.2300832342449465 CDOCKER 0.22473246135552913 CHARMm 0.34958382877526756 COMPASS 0.29548156956004756 COMPASS III 0.10998810939357907 COSMObase 0.0023781212841854932 COSMOconf 0.0077288941736028535 COSMOmic 0.0 COSMOperm 5.945303210463733E-4 COSMOplex 5.945303210463733E-4 COSMOtherm 0.054696789536266346 Catalyst 0.09750297265160524 Classical Simulations 1.0 Conformers 5.945303210463733E-4 Crystallization 0.0713436385255648 DFTB Plus 0.0023781212841854932 DMol3 0.10404280618311534 DPD 0.0017835909631391202 Discover 0.004161712247324614 Forcite 0.47265160523186683 GULP 0.0077288941736028535 Kinetix 0.0 LUDI 0.0023781212841854932 LibDock 0.08858501783590964 LigandFit 0.0047562425683709865 MODELER 0.3145065398335315 Mesocite 0.004161712247324614 Mesoscale 0.00535077288941736 Morphology 0.016646848989298454 ONETEP 0.0011890606420927466 Polymorph 0.0017835909631391202 Quantum Mechanics 0.3323424494649227 Reflex 0.05112960760998811 Reflex Plus 0.0 Semi-empirical 0.0023781212841854932 Sorption 0.0558858501783591 Synthia 0.0011890606420927466 TURBOMOLE 0.0 Visualization 0.8394768133174791 X-Cell 5.945303210463733E-4 ZDOCK 0.039239001189060645

Year

2024 0.0 2025 1.0 2026 0.7008515364679748 2027 0.0037023324694557573

Keywords

target 1.0 potential 0.35013850415512465 docking 0.2916897506925208 analysis 0.2329639889196676 visualization 0.20720221606648198 between 0.11301939058171745 binding 0.10609418282548476 novel 0.10332409972299168 promising 0.09501385041551247 activity 0.07645429362880886 cell 0.04515235457063712 therapeutic 0.04016620498614958 including 0.03795013850415512 stability 0.03518005540166205 strong 0.03074792243767313 energy 0.02853185595567867 development 0.02548476454293629 protein 0.019113573407202215 synthesized 0.011357340720221607 effective 0.010803324099722992 mechanism 0.010803324099722992 interaction 0.00443213296398892 strategy 0.004155124653739612 inhibition 0.0016620498614958448 silico 0.0
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