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Application

Discovery Studio 1.0 Materials Studio 0.9698480940097449 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0670171859059876 Amorphous Cell 0.277485678411677 Blends 0.002432708153496037 CASTEP 0.40783175076512596 CDOCKER 0.17774464411833948 CHARMm 0.2618692615553637 COMPASS 0.36898689476575375 COMPASS III 0.07502158047555521 COSMObase 0.002982029349446755 COSMOconf 0.0033744016322686966 COSMOmic 2.3542336969316487E-4 COSMOperm 0.001334065761594601 COSMOplex 3.1389782625755315E-4 COSMOquick 0.001334065761594601 COSMOtherm 0.06325041199089697 Cantera 7.847445656438829E-5 Catalyst 0.1252452326767637 Classical Simulations 1.0 Conformers 0.0011771168484658245 Crystallization 0.07486463156242643 DFTB Plus 0.00596405869889351 DMol3 0.18582751314447146 DPD 0.0030605038060111433 Discover 0.004551518480734521 Forcite 0.53111512202778 GULP 0.02605351957937691 Kinetix 2.3542336969316487E-4 LUDI 0.005807109785764733 LibDock 0.072353448952366 LigandFit 0.007455073373616888 MCSS 0.001334065761594601 MODELER 0.19006513379894843 MesoDyn 0.001569489131287766 Mesocite 0.004080671741348191 Mesoscale 0.007612022286745664 Modules 0.0 Morphology 0.017656752726987364 ONETEP 9.416934787726595E-4 Polymorph 0.001961861414109707 QMERA 2.3542336969316487E-4 QSAR 0.001334065761594601 Quantum Mechanics 0.5811818253158597 Reflex 0.05485364513850741 Reflex Plus 7.062701090794946E-4 Semi-empirical 0.008004394569567606 Sorption 0.05383347720317037 Synthia 0.0014125402181589892 TURBOMOLE 5.493211959507181E-4 VAMP 0.0016479635878521542 Visualization 0.8860550890685082 X-Cell 0.0011771168484658245 ZDOCK 0.030291140233853882

Year

2020 0.00875580071797566 2021 0.15699150687330357 2022 0.29795989843271165 2023 0.4152876280535855 2024 0.9688293494440067 2025 1.0 2026 0.37220908852114526 2027 0.0

Keywords

target 1.0 potential 0.2635997091678234 docking 0.21852072179258378 visualization 0.2131667658139996 analysis 0.17952277083746448 between 0.14994381651133584 novel 0.1002710027100271 energy 0.08097032189834094 binding 0.0702954590521515 cell 0.05743935488135369 activity 0.05172185868200145 promising 0.043955317601956506 interaction 0.03843611606847776 synthesized 0.02832308810892987 experimental 0.027298565668583515 stability 0.025943552118448013 protein 0.019565073699517484 mechanism 0.01642540815652059 effective 0.016392359045541673 performance 0.014839050829532685 development 0.014772952607574856 synthesis 0.01252561306100866 including 0.008724965298433472 chemical 0.0011567188842620134 design 0.0
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