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Application

Discovery Studio 1.0 Materials Studio 0.9710889570552147 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06594528378930176 Amorphous Cell 0.27705185790118414 Blends 0.002245814618211515 CASTEP 0.38301347488770926 CDOCKER 0.16986525112290732 CHARMm 0.2625561453654553 COMPASS 0.35861576153532054 COMPASS III 0.08442221314822376 COSMObase 0.003777051857901184 COSMOconf 0.0043895467537770514 COSMOmic 1.0208248264597796E-4 COSMOperm 0.0013270722743977134 COSMOplex 3.0624744793793387E-4 COSMOquick 0.0014291547570436914 COSMOtherm 0.06349530420579828 Cantera 0.0 Catalyst 0.12341772151898735 Classical Simulations 1.0 Conformers 7.145773785218457E-4 Crystallization 0.07207023274806043 DFTB Plus 0.005614536545528787 DMol3 0.1736423029808085 DPD 0.002654144548795427 Discover 0.0038791343405471623 Forcite 0.5309309922417313 GULP 0.02398938342180482 Kinetix 2.041649652919559E-4 LUDI 0.004083299305839118 LibDock 0.07258064516129033 LigandFit 0.005104124132298897 MCSS 6.124948958758677E-4 MODELER 0.19518170681910985 MesoDyn 0.0011229073091057575 Mesocite 0.0039812168231931405 Mesoscale 0.006941608819926501 Modules 0.0 Morphology 0.017047774601878316 ONETEP 0.0010208248264597796 Polymorph 0.0019395671702735812 QMERA 2.041649652919559E-4 QSAR 0.0011229073091057575 Quantum Mechanics 0.5452225398121683 Reflex 0.052470396080032664 Reflex Plus 9.187423438138016E-4 Semi-empirical 0.0074520212331563905 Sorption 0.055430788076766026 Synthia 0.0016333197223356473 TURBOMOLE 4.083299305839118E-4 VAMP 0.0014291547570436914 Visualization 0.8469783585136791 X-Cell 0.0014291547570436914 ZDOCK 0.02991016741527154

Year

2021 0.0028617420854945446 2022 0.13575389018064746 2023 0.3115721695582186 2024 0.6353961724199606 2025 1.0 2026 0.38007512072974425 2027 0.0

Keywords

target 1.0 potential 0.28511148618637294 docking 0.22772497112907525 visualization 0.20986941458647954 analysis 0.19490095051967665 between 0.1557697432708537 novel 0.10424624677978148 energy 0.08550235409078795 binding 0.07559740605845251 cell 0.06409345296260105 promising 0.06062894199164964 activity 0.056631429332859556 interaction 0.03739895176334725 stability 0.03739895176334725 synthesized 0.032824020609398596 experimental 0.029936928133605756 performance 0.027227502887092477 protein 0.02345207426490184 development 0.022030736430665363 effective 0.021053566669627787 mechanism 0.02060939859642889 including 0.018832726303633293 synthesis 0.015190548103402328 design 0.004175179888069646 chemical 0.0
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