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Application

Discovery Studio 0.8487394957983193 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06814119749776586 Amorphous Cell 0.2869749776586238 Blends 0.0024575513851653264 CASTEP 0.39711796246648795 CDOCKER 0.1478999106344951 CHARMm 0.2354781054512958 COMPASS 0.36896782841823056 COMPASS III 0.08903038427167113 COSMObase 0.003909740840035746 COSMOconf 0.004691689008042895 COSMOmic 1.1170688114387846E-4 COSMOperm 0.00145218945487042 COSMOplex 2.2341376228775692E-4 COSMOquick 0.0015638963360142986 COSMOtherm 0.06579535299374442 Cantera 0.0 Catalyst 0.09673815907059875 Classical Simulations 1.0 Conformers 6.702412868632708E-4 Crystallization 0.0751787310098302 DFTB Plus 0.006032171581769437 DMol3 0.17627345844504022 DPD 0.0025692582663092048 Discover 0.003351206434316354 Forcite 0.5509383378016086 GULP 0.024128686327077747 Kinetix 2.2341376228775692E-4 LUDI 0.003127792672028597 LibDock 0.0627792672028597 LigandFit 0.003686327077747989 MCSS 4.4682752457551384E-4 MODELER 0.19492850759606792 MesoDyn 0.0010053619302949062 Mesocite 0.003351206434316354 Mesoscale 0.006478999106344951 Modules 0.0 Morphology 0.017984807864164433 ONETEP 0.0011170688114387846 Polymorph 0.0020107238605898124 QMERA 1.1170688114387846E-4 QSAR 0.0011170688114387846 Quantum Mechanics 0.5622207327971404 Reflex 0.05440125111706881 Reflex Plus 0.0010053619302949062 Semi-empirical 0.007596067917783735 Sorption 0.058310991957104555 Synthia 0.0015638963360142986 TURBOMOLE 5.585344057193923E-4 VAMP 0.0012287756925826632 Visualization 0.7258713136729222 X-Cell 0.00145218945487042 ZDOCK 0.024575513851653262

Year

2023 0.2006558539395551 2024 0.5504741646725162 2025 1.0 2026 0.3767614996011699 2027 0.0

Keywords

target 1.0 potential 0.2812307059065651 docking 0.19448446182342047 analysis 0.1922720724428895 visualization 0.17256637168141592 between 0.15749125334430952 energy 0.09713932908005762 novel 0.09590450710022638 cell 0.06559991767853468 promising 0.06554846676270838 binding 0.05829388763119984 performance 0.04167524181930438 activity 0.04141798724017288 stability 0.03972010701790492 experimental 0.03133360773821774 interaction 0.026394319818892776 synthesized 0.024902243259930026 effective 0.01898538793990533 including 0.018779584276600123 mechanism 0.01872813336077382 development 0.016927351306853262 synthesis 0.0036530150236674212 enhanced 0.0036015641078411195 protein 0.0020065857172257666 design 0.0
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