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Application

Discovery Studio 0.9688552188552189 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04764890282131661 Amorphous Cell 0.09968652037617555 Antibody 6.269592476489029E-4 Blends 0.005642633228840125 CASTEP 0.638871473354232 CDOCKER 0.25141065830721004 CHARMm 0.41253918495297803 COMPASS 0.1962382445141066 COMPASS III 0.01128526645768025 COSMObase 6.269592476489029E-4 COSMOconf 6.269592476489029E-4 COSMOmic 0.0 COSMOquick 0.003761755485893417 COSMOtherm 0.0890282131661442 Catalyst 0.380564263322884 Classical Simulations 0.9517241379310345 Conformers 0.0012539184952978057 Crystallization 0.061442006269592474 DFTB Plus 0.0025078369905956114 DMol3 0.3724137931034483 DPD 0.006896551724137931 Discover 0.02884012539184953 Forcite 0.23134796238244515 GULP 0.1360501567398119 LUDI 0.03385579937304075 LibDock 0.08275862068965517 LigandFit 0.09341692789968652 MCSS 0.00438871473354232 MODELER 0.4106583072100313 MesoDyn 0.003134796238244514 Mesocite 0.003134796238244514 Mesoscale 0.013166144200626959 Morphology 0.011912225705329153 ONETEP 0.006269592476489028 Polymorph 0.00438871473354232 QSAR 0.0 Quantum Mechanics 1.0 Reflex 0.04326018808777429 Reflex Plus 0.0018808777429467085 Semi-empirical 0.00877742946708464 Sorption 0.023824451410658306 TURBOMOLE 0.0018808777429467085 VAMP 0.005642633228840125 Visualization 0.5830721003134797 X-Cell 0.0018808777429467085 ZDOCK 0.026959247648902823

Year

2003 0.0 2004 0.02610966057441253 2005 0.031331592689295036 2006 0.08616187989556136 2007 0.0926892950391645 2008 0.17493472584856398 2009 0.19973890339425587 2010 0.26240208877284593 2011 0.23237597911227154 2012 0.15535248041775457 2013 0.2819843342036554 2014 0.3877284595300261 2015 0.4934725848563969 2016 0.5274151436031331 2017 0.34073107049608353 2018 0.185378590078329 2019 0.09007832898172324 2020 0.42297650130548303 2021 0.34203655352480417 2022 1.0 2023 0.185378590078329 2024 0.4321148825065274 2025 0.1475195822454308 2026 0.05352480417754569

Keywords

potential 1.0 target 0.9513175524787851 docking 0.1527467619472979 between 0.1380080393032604 novel 0.11991960696739616 analysis 0.10652076820008932 energy 0.10406431442608308 binding 0.07548012505582849 activity 0.06967396158999553 visualization 0.06922733363108531 well 0.06610093791871371 experimental 0.056498436802143816 chemical 0.042652970075926756 interaction 0.03148727110317106 protein 0.027914247431889236 catalyst 0.019428316212594908 drug 0.016748548459133542 compound 0.01496203662349263 synthesized 0.014515408664582403 development 0.013398838767306834 design 0.010495757034390353 promising 0.003796337650736936 modeler 0.0031263957123715946 synthesis 0.002009825815096025 inhibition 0.0
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