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Application

Discovery Studio 0.9216473557416542 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0693564782234733 Amorphous Cell 0.2832121354288842 Blends 0.002893111267495504 CASTEP 0.41981390257252327 CDOCKER 0.16334349831886777 CHARMm 0.24286496207678474 COMPASS 0.38134334193447494 COMPASS III 0.07576823832981469 COSMObase 0.0029713034639143013 COSMOconf 0.003518648838845883 COSMOmic 2.345765892563922E-4 COSMOperm 0.0013292673391195559 COSMOplex 3.127687856751896E-4 COSMOquick 0.001563843928375948 COSMOtherm 0.06536867620611463 Cantera 0.0 Catalyst 0.11916490734224724 Classical Simulations 1.0 Conformers 0.001172882946281961 Crystallization 0.07772304324028462 DFTB Plus 0.005864414731409805 DMol3 0.1903979982797717 DPD 0.003127687856751896 Discover 0.0049261083743842365 Forcite 0.5440613026819924 GULP 0.02674173117522871 Kinetix 2.345765892563922E-4 LUDI 0.004769723981546642 LibDock 0.06677613574165299 LigandFit 0.006255375713503792 MCSS 9.383063570255688E-4 MODELER 0.17069356478223474 MesoDyn 0.0017984205176323402 Mesocite 0.004456955195871452 Mesoscale 0.008210180623973728 Modules 0.0 Morphology 0.01782782078348581 ONETEP 0.001172882946281961 Polymorph 0.001954804910469935 QMERA 2.345765892563922E-4 QSAR 0.0014074595355383533 Quantum Mechanics 0.5980139182109625 Reflex 0.05754945656423489 Reflex Plus 7.037297677691766E-4 Semi-empirical 0.007975604034717336 Sorption 0.05481272968957698 Synthia 0.0013292673391195559 TURBOMOLE 6.255375713503792E-4 VAMP 0.0017202283212135428 Visualization 0.8225819063257487 X-Cell 0.0012510751427007585 ZDOCK 0.02768003753225428

Year

2020 0.0 2021 0.07170966331438566 2022 0.27678181023174464 2023 0.44634892872759074 2024 0.9875819851333625 2025 1.0 2026 0.3726278968080455 2027 8.745080891998251E-4

Keywords

target 1.0 potential 0.25822451665148294 docking 0.20029017781826772 visualization 0.1956675776900496 analysis 0.17636737861456964 between 0.15332186118702973 novel 0.0958599048486689 energy 0.08914532510038128 binding 0.06134224111752202 cell 0.06073489219556635 activity 0.04582110200087728 promising 0.043864088807909034 interaction 0.03684583459864359 experimental 0.031649627155245136 stability 0.02952390592840031 synthesized 0.027094510240577657 performance 0.021628369942976684 effective 0.017545635523163614 mechanism 0.01744441070283767 development 0.01454263252016061 protein 0.011134730235853832 synthesis 0.009582616324189358 including 0.008367918480278031 chemical 0.002024496406518878 design 0.0
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