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Application

Discovery Studio 1.0 Materials Studio 0.7780271707028943 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05829358770535241 Amorphous Cell 0.2655007949125596 Blends 0.0017664723547076487 CASTEP 0.32114467408585057 CDOCKER 0.19413531178237062 CHARMm 0.31266560678325384 COMPASS 0.32308779367602897 COMPASS III 0.0925631513866808 COSMObase 0.0042395336512983575 COSMOconf 0.0042395336512983575 COSMOperm 3.532944709415298E-4 COSMOplex 1.766472354707649E-4 COSMOquick 0.0017664723547076487 COSMOtherm 0.0598834128245893 Catalyst 0.1146440558205264 Classical Simulations 1.0 Conformers 3.532944709415298E-4 Crystallization 0.06500618265324147 DFTB Plus 0.004592828122239887 DMol3 0.1478537360890302 DPD 0.0014131778837661192 Discover 0.002649708532061473 Forcite 0.4990284402049108 GULP 0.019077901430842606 Kinetix 0.0 LUDI 0.004062886415827592 LibDock 0.08267090620031796 LigandFit 0.005122769828652182 MCSS 5.299417064122947E-4 MODELER 0.28952481893658366 MesoDyn 7.065889418830596E-4 Mesocite 0.002649708532061473 Mesoscale 0.0047694753577106515 Modules 0.0 Morphology 0.015368309485956544 ONETEP 5.299417064122947E-4 Polymorph 0.0019431195901784136 QMERA 0.0 QSAR 7.065889418830596E-4 Quantum Mechanics 0.4599894011658718 Reflex 0.046988164635223456 Reflex Plus 8.832361773538244E-4 Semi-empirical 0.006006006006006006 Sorption 0.051934287228404874 Synthia 8.832361773538244E-4 TURBOMOLE 1.766472354707649E-4 VAMP 0.0010598834128245894 Visualization 0.8620385090973326 X-Cell 0.001589825119236884 ZDOCK 0.0332096802685038

Year

2023 0.0 2024 0.558715336728919 2025 1.0 2026 0.3711092246745897

Keywords

target 1.0 potential 0.31993469133882757 docking 0.26325610324988336 analysis 0.22018348623853212 visualization 0.20727725081635825 between 0.14305706733011972 novel 0.1076037941222205 binding 0.0933758357953662 promising 0.07953661949930027 activity 0.0678743585756492 energy 0.059555279116778104 cell 0.05411289068574094 stability 0.03584201523868761 protein 0.02620121287513606 including 0.02332452184730213 interaction 0.022858031410356087 synthesized 0.01959259835173379 development 0.019048359508630073 mechanism 0.015394184419219406 effective 0.015316436013061731 performance 0.013372725859119888 experimental 0.007463846991136682 synthesis 0.007386098584979008 vitro 3.1099362463069506E-4 silico 0.0
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