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Application

Discovery Studio 0.9502773278358612 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06958624395486297 Amorphous Cell 0.2792853304674906 Blends 0.003089736700698549 CASTEP 0.42598065556152603 CDOCKER 0.17067436861902202 CHARMm 0.24623858140784524 COMPASS 0.3846050510478238 COMPASS III 0.06925040300913488 COSMObase 0.002619559376679205 COSMOconf 0.003089736700698549 COSMOmic 2.6867275658248256E-4 COSMOperm 0.001276195593766792 COSMOplex 4.030091348737238E-4 COSMOquick 0.0016792047286405159 COSMOtherm 0.06562332079527136 Cantera 6.716818914562064E-5 Catalyst 0.11290972595378829 Classical Simulations 1.0 Conformers 0.0015448683503492746 Crystallization 0.07858678130037614 DFTB Plus 0.006045137023105857 DMol3 0.19908651262761956 DPD 0.0033584094572810318 Discover 0.005843632455668995 Forcite 0.5392933906501881 GULP 0.02874798495432563 Kinetix 2.015045674368619E-4 LUDI 0.0057092960773777535 LibDock 0.06783987103707684 LigandFit 0.008127350886620097 MCSS 0.001477700161203654 MODELER 0.18504836109618486 MesoDyn 0.0019478774852229985 Mesocite 0.004634605051047824 Mesoscale 0.008597528210639442 Modules 0.0 Morphology 0.018672756582482537 ONETEP 0.0013433637829124126 Polymorph 0.0019478774852229985 QMERA 4.030091348737238E-4 QSAR 0.0017463729177861365 Quantum Mechanics 0.6119693713057496 Reflex 0.057898979043524985 Reflex Plus 8.060182697474476E-4 Semi-empirical 0.008530360021493821 Sorption 0.055346587855991405 Synthia 0.0014105319720580333 TURBOMOLE 6.716818914562063E-4 VAMP 0.0019478774852229985 Visualization 0.8520956475013434 X-Cell 0.0011418592154755509 ZDOCK 0.0296211714132187

Year

2020 0.07599323753169906 2021 0.2547759932375317 2022 0.29509721048182586 2023 0.6544378698224852 2024 1.0 2025 0.9667793744716822 2026 0.35934065934065934 2027 0.0

Keywords

target 1.0 potential 0.24577855847688124 visualization 0.20143925657298278 docking 0.19886106074342702 analysis 0.16710108794197642 between 0.152510199456029 novel 0.09386332728921125 energy 0.08437216681776973 binding 0.0614233907524932 cell 0.05762692656391659 activity 0.04612420670897552 interaction 0.0379929737080689 promising 0.03759632819582956 experimental 0.030428377153218496 synthesized 0.02524365367180417 stability 0.021248866727107886 mechanism 0.017735720761559385 protein 0.013939256572982775 effective 0.013599274705349048 performance 0.01314596554850408 development 0.012296010879419764 synthesis 0.009009519492293745 chemical 0.0036548050770625565 including 0.0030315049864007254 design 0.0
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