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Application

Discovery Studio 1.0 Materials Studio 0.9621312197269926 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05287958115183246 Amorphous Cell 0.2743455497382199 Blends 5.235602094240838E-4 CASTEP 0.27225130890052357 CDOCKER 0.16963350785340314 CHARMm 0.26910994764397905 COMPASS 0.33979057591623035 COMPASS III 0.112565445026178 COSMObase 0.004712041884816754 COSMOconf 0.008376963350785341 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 5.235602094240838E-4 COSMOquick 5.235602094240838E-4 COSMOtherm 0.06649214659685863 Catalyst 0.07958115183246073 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07696335078534032 DFTB Plus 0.004188481675392671 DMol3 0.1324607329842932 DPD 0.0020942408376963353 Discover 0.0036649214659685864 Forcite 0.5209424083769634 GULP 0.014136125654450262 Kinetix 0.0 LUDI 0.0031413612565445027 LibDock 0.06858638743455497 LigandFit 0.0031413612565445027 MODELER 0.2591623036649215 Mesocite 0.0031413612565445027 Mesoscale 0.005235602094240838 Morphology 0.01832460732984293 ONETEP 0.0010471204188481676 Polymorph 0.0020942408376963353 QMERA 0.0 Quantum Mechanics 0.3994764397905759 Reflex 0.05392670157068063 Reflex Plus 5.235602094240838E-4 Semi-empirical 0.005235602094240838 Sorption 0.06335078534031413 Synthia 0.0010471204188481676 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.6727748691099477 X-Cell 5.235602094240838E-4 ZDOCK 0.024607329842931937

Year

2024 0.24314765694076038 2025 0.887709991158267 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.32129173508483855 docking 0.22988505747126436 analysis 0.2287903667214012 visualization 0.16283524904214558 between 0.13656267104542966 promising 0.08949096880131363 novel 0.08593322386425835 binding 0.07006020799124248 energy 0.07006020799124248 cell 0.06540777230432403 activity 0.04324028461959496 stability 0.034482758620689655 performance 0.03229337712096333 including 0.023809523809523808 synthesized 0.018883415435139574 strategy 0.015599343185550082 effective 0.013136288998357963 strong 0.009304871373836891 enhanced 0.0090311986863711 development 0.00875752599890531 mechanism 0.006294471811713191 synthesis 8.210180623973727E-4 protein 2.736726874657909E-4 design 0.0
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