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Application

Discovery Studio 1.0 Materials Studio 0.6262463814731425 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08117195004803074 Amorphous Cell 0.3016330451488953 Blends 0.0038424591738712775 CASTEP 0.16090297790585975 CDOCKER 0.17387127761767532 CHARMm 0.3275696445725264 COMPASS 0.3765609990393852 COMPASS III 0.06484149855907781 COSMObase 0.0019212295869356388 COSMOconf 0.002881844380403458 COSMOmic 0.0 COSMOperm 4.803073967339097E-4 COSMOquick 9.606147934678194E-4 COSMOtherm 0.0494716618635927 Catalyst 0.1037463976945245 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.036983669548511046 DFTB Plus 0.008645533141210375 DMol3 0.1440922190201729 DPD 0.0019212295869356388 Discover 0.0038424591738712775 Forcite 0.5100864553314121 GULP 0.012487992315081652 LUDI 0.007204610951008645 LibDock 0.07204610951008646 LigandFit 0.0033621517771373678 MCSS 4.803073967339097E-4 MODELER 0.21757925072046108 MesoDyn 9.606147934678194E-4 Mesocite 0.005283381364073006 Mesoscale 0.007204610951008645 Morphology 0.013928914505283382 ONETEP 0.001440922190201729 Polymorph 9.606147934678194E-4 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.2915465898174832 Reflex 0.022094140249759846 Reflex Plus 0.0 Semi-empirical 0.011047070124879923 Sorption 0.053794428434197884 Synthia 9.606147934678194E-4 TURBOMOLE 0.0 VAMP 0.001440922190201729 Visualization 0.888088376560999 X-Cell 0.0 ZDOCK 0.05235350624399616

Year

2021 0.05438401775804662 2022 0.23196448390677027 2023 0.553274139844617 2024 1.0 2025 0.9173140954495006 2026 0.2225305216426193 2027 0.0

Keywords

interaction 1.0 target 0.9531626176406216 between 0.41278179032611073 docking 0.34252571678704313 potential 0.29853359597286055 analysis 0.26351499233968045 visualization 0.2322171153425257 binding 0.209673889253666 energy 0.11096520026263952 protein 0.09433136353687897 mechanism 0.09170496826439045 cell 0.06281462026701685 novel 0.060844823812650474 stability 0.051871306631648066 activity 0.03961479536003502 experimental 0.03655066754213176 complex 0.02341869117968921 drug 0.022105493543444956 including 0.01969796454366382 effective 0.01597723790763843 development 0.015101772816808929 strong 0.01400744145327205 promising 0.010505581089954037 silico 0.008098052090172904 higher 0.0
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