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Application

Discovery Studio 1.0 Materials Studio 0.9740718115794474 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06708595387840671 Amorphous Cell 0.2782790994439887 Blends 0.002461033634126333 CASTEP 0.39021055509980856 CDOCKER 0.1710874122687084 CHARMm 0.2602315194603956 COMPASS 0.36468872481997994 COMPASS III 0.07957342083675144 COSMObase 0.0033725275726916417 COSMOconf 0.003919423935830827 COSMOmic 9.114939385653085E-5 COSMOperm 0.0013672409078479629 COSMOplex 2.7344818156959256E-4 COSMOquick 0.001276091513991432 COSMOtherm 0.06298423115486282 Cantera 0.0 Catalyst 0.12897639230699115 Classical Simulations 1.0 Conformers 8.203445447087777E-4 Crystallization 0.0744690547807857 DFTB Plus 0.005742411812961444 DMol3 0.1763740771123872 DPD 0.003099079391122049 Discover 0.003737125148117765 Forcite 0.5323124601221402 GULP 0.024974933916689455 Kinetix 2.7344818156959256E-4 LUDI 0.004830917874396135 LibDock 0.0720991705405159 LigandFit 0.0059247106006745055 MCSS 8.203445447087777E-4 MODELER 0.18539786710418377 MesoDyn 0.0013672409078479629 Mesocite 0.00428402151125695 Mesoscale 0.0076565490839485915 Modules 0.0 Morphology 0.01786528119588005 ONETEP 0.0010026433324218393 Polymorph 0.0019141372709871479 QMERA 1.822987877130617E-4 QSAR 0.0010026433324218393 Quantum Mechanics 0.5560113025248382 Reflex 0.054233889344635855 Reflex Plus 8.203445447087777E-4 Semi-empirical 0.0076565490839485915 Sorption 0.05468963631391851 Synthia 0.0015495396955610245 TURBOMOLE 5.468963631391851E-4 VAMP 0.0015495396955610245 Visualization 0.8634582080029167 X-Cell 0.001276091513991432 ZDOCK 0.030443897548081304

Year

2021 0.02071447379970157 2022 0.20266830509962258 2023 0.3725972088124287 2024 0.7654700254542263 2025 1.0 2026 0.37312384797682785 2027 0.0

Keywords

target 1.0 potential 0.2753895544593219 docking 0.2238274215018401 visualization 0.2118080025056769 analysis 0.18839558374442095 between 0.1513585467073839 novel 0.10050113538485632 energy 0.08280479210711769 binding 0.07340850364106179 cell 0.060997572625479606 activity 0.053558844256518676 promising 0.05261921540991309 interaction 0.03793751468170073 stability 0.03300446323702138 synthesized 0.0303813327069141 experimental 0.028110562994283925 performance 0.022081277895231382 protein 0.021807219481638086 effective 0.018988332941821316 mechanism 0.018792576932111817 development 0.01855766972046042 including 0.014055281497141962 synthesis 0.013350559862187769 design 0.0017618040873854828 chemical 0.0
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