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Application

Discovery Studio 1.0 Materials Studio 0.9768770152003685 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06789340101522842 Amorphous Cell 0.2741751269035533 Antibody 3.8071065989847715E-4 Blends 0.0031091370558375634 CASTEP 0.4215736040609137 CDOCKER 0.1850253807106599 CHARMm 0.2618020304568528 COMPASS 0.37753807106598986 COMPASS III 0.06611675126903553 COSMObase 0.0025380710659898475 COSMOconf 0.002982233502538071 COSMOmic 3.1725888324873094E-4 COSMOperm 0.0012690355329949238 COSMOplex 4.4416243654822336E-4 COSMOquick 0.001649746192893401 COSMOtherm 0.06503807106598984 Cantera 6.34517766497462E-5 Catalyst 0.12728426395939085 Classical Simulations 1.0 Conformers 0.0017131979695431472 Crystallization 0.0774746192893401 DFTB Plus 0.006154822335025381 DMol3 0.19815989847715737 DPD 0.0034898477157360407 Discover 0.005774111675126903 Forcite 0.527982233502538 GULP 0.028553299492385786 Kinetix 1.9035532994923857E-4 LUDI 0.006218274111675127 LibDock 0.07252538071065989 LigandFit 0.010596446700507614 MCSS 0.0017766497461928934 MODELER 0.2089467005076142 MesoDyn 0.001967005076142132 Mesocite 0.004695431472081219 Mesoscale 0.00881979695431472 Modules 0.0 Morphology 0.018274111675126905 ONETEP 0.0012690355329949238 Polymorph 0.0020939086294416245 QMERA 4.4416243654822336E-4 QSAR 0.0017131979695431472 Quantum Mechanics 0.6064720812182741 Reflex 0.056979695431472084 Reflex Plus 8.248730964467005E-4 Reflex QPA 0.0 Semi-empirical 0.008692893401015228 Sorption 0.053616751269035534 Synthia 0.00133248730964467 TURBOMOLE 6.979695431472081E-4 VAMP 0.001967005076142132 Visualization 0.8787436548223351 X-Cell 0.0012055837563451778 ZDOCK 0.03115482233502538

Year

2019 0.06719066937119675 2020 0.20393847194050033 2021 0.26124070317782283 2022 0.29690669371196754 2023 0.7309837728194726 2024 1.0 2025 0.9666159567275185 2026 0.3592799188640974 2027 0.0

Keywords

target 1.0 potential 0.24101097055272688 visualization 0.20529106083670148 docking 0.20502860742218257 analysis 0.1633772505380295 between 0.14959844627578606 novel 0.09721274473780904 energy 0.07731877591727468 binding 0.0650097107763372 cell 0.05569261456091544 activity 0.0524119468794289 interaction 0.03881686000734869 promising 0.03459136003359404 experimental 0.027085192378352843 synthesized 0.026402813500603643 protein 0.01892289118681434 mechanism 0.018266757650517034 stability 0.016350847724528897 development 0.011521704897380716 synthesis 0.010629363288016377 effective 0.010130701800430424 performance 0.0060101831924833345 chemical 0.0025720434622854443 design 0.0014172484384021836 including 0.0
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