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Application

Discovery Studio 1.0 Materials Studio 0.7989690721649485 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05056179775280899 Amorphous Cell 0.12359550561797752 Antibody 0.0011235955056179776 Blends 0.0033707865168539327 CASTEP 0.5910112359550562 CDOCKER 0.29775280898876405 CHARMm 0.46741573033707867 COMPASS 0.22808988764044943 COMPASS III 0.012359550561797753 COSMObase 0.0033707865168539327 COSMOconf 0.0011235955056179776 COSMOmic 0.0022471910112359553 COSMOperm 0.0 COSMOquick 0.0022471910112359553 COSMOtherm 0.1 Catalyst 0.4191011235955056 Classical Simulations 1.0 Conformers 0.0011235955056179776 Crystallization 0.06741573033707865 DFTB Plus 0.0033707865168539327 DMol3 0.350561797752809 DPD 0.0056179775280898875 Discover 0.017977528089887642 Forcite 0.27415730337078653 GULP 0.10674157303370786 LUDI 0.058426966292134834 LibDock 0.08876404494382023 LigandFit 0.09662921348314607 MCSS 0.011235955056179775 MODELER 0.41685393258426967 MesoDyn 0.0022471910112359553 Mesocite 0.0033707865168539327 Mesoscale 0.011235955056179775 Morphology 0.011235955056179775 ONETEP 0.006741573033707865 Polymorph 0.0 QSAR 0.0 Quantum Mechanics 0.9348314606741573 Reflex 0.05056179775280899 Reflex Plus 0.0044943820224719105 Reflex QPA 0.0 Semi-empirical 0.006741573033707865 Sorption 0.035955056179775284 TURBOMOLE 0.0011235955056179776 VAMP 0.0022471910112359553 Visualization 0.7460674157303371 X-Cell 0.0 ZDOCK 0.04044943820224719

Year

2002 0.0 2003 0.03481012658227848 2004 0.07278481012658228 2005 0.06962025316455696 2006 0.12341772151898735 2007 0.17721518987341772 2008 0.21518987341772153 2009 0.1550632911392405 2010 0.11075949367088607 2011 0.09177215189873418 2012 0.15822784810126583 2013 0.6265822784810127 2014 0.569620253164557 2015 0.5569620253164557 2016 0.4050632911392405 2017 0.34810126582278483 2018 0.189873417721519 2019 0.6424050632911392 2020 0.8164556962025317 2021 1.0 2022 0.8417721518987342 2023 0.7563291139240507 2024 0.620253164556962 2025 0.8670886075949367 2026 0.189873417721519 2027 0.0

Keywords

potential 1.0 target 0.9583802024746907 docking 0.1942257217847769 novel 0.140607424071991 analysis 0.12935883014623173 between 0.11886014248218972 visualization 0.10161229846269217 binding 0.09186351706036745 energy 0.08398950131233596 activity 0.0772403449568804 well 0.04461942257217848 interaction 0.04274465691788527 protein 0.03974503187101612 experimental 0.03787026621672291 drug 0.03262092238470191 chemical 0.031496062992125984 promising 0.030371203599550055 compound 0.024371953505811773 synthesized 0.022872140982377203 development 0.01987251593550806 catalyst 0.01537307836520435 inhibition 0.014623172103487065 design 0.013123359580052493 including 0.004124484439445069 vitro 0.0
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