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Application

Discovery Studio 0.6690827293176705 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.09040034438226431 Amorphous Cell 0.11235471373224279 Antibody 0.0 Blends 0.0034438226431338786 CASTEP 0.6594920361601377 CDOCKER 0.24752475247524752 CHARMm 0.2569952647438657 COMPASS 0.2862677572105037 COMPASS III 0.007748600947051227 COSMOconf 4.3047783039173483E-4 COSMOquick 0.0 COSMOtherm 0.03314679294016358 Catalyst 0.26345243219974174 Classical Simulations 0.8622470942746449 Conformers 0.0017219113215669393 Crystallization 0.16013775290572535 DFTB Plus 0.0064571674558760225 DMol3 0.3581575548859234 DPD 0.009040034438226431 Discover 0.03702109341368919 Equilibria 0.0 Forcite 0.3357727077055532 GULP 0.034438226431338786 LUDI 0.009470512268618166 LibDock 0.04950495049504951 LigandFit 0.03486870426173052 MCSS 0.0038743004735256135 MODELER 0.16142918639690057 MesoDyn 0.0038743004735256135 Mesocite 0.004735256134309083 Mesoscale 0.015927679724494187 Morphology 0.018510546706844596 ONETEP 0.0 Polymorph 0.006887645286267757 QMERA 0.0012914334911752045 QSAR 0.0034438226431338786 Quantum Mechanics 1.0 Reflex 0.12656048213517004 Reflex Plus 0.011192423590185106 Semi-empirical 0.018080068876452863 Sorption 0.04563065002152389 Synthia 0.0017219113215669393 TURBOMOLE 4.3047783039173483E-4 VAMP 0.009470512268618166 Visualization 0.6121394748170469 X-Cell 0.005165733964700818 ZDOCK 0.007748600947051227

Year

2003 0.0 2004 0.021961932650073207 2005 0.02342606149341142 2006 0.04538799414348463 2007 0.05124450951683748 2008 0.08638360175695461 2009 0.13469985358711567 2010 0.15080527086383602 2011 0.17569546120058566 2012 0.232796486090776 2013 0.42020497803806733 2014 0.5695461200585652 2015 0.726207906295754 2016 0.6969253294289898 2017 0.8638360175695461 2018 0.9341142020497804 2019 0.7335285505124451 2020 0.9282576866764275 2021 0.6178623718887262 2022 1.0 2023 0.9487554904831625 2024 0.5915080527086384 2025 0.08199121522693997 2026 0.04978038067349927

Keywords

synthesized 1.0 target 0.9720455306327419 synthesis 0.2869099430867091 novel 0.20036826247070638 docking 0.13508536993639103 compound 0.13324405758285907 potential 0.1083026447941078 between 0.09976565115500502 visualization 0.08302644794107801 activity 0.07398727820555742 designed 0.06645463675929025 analysis 0.06042852360227653 experimental 0.05071978573819886 design 0.04954804151322397 potent 0.028958821560093738 x-ray 0.02879142952795447 well 0.026782725142283227 energy 0.02259792433880147 chemical 0.016404419149648478 binding 0.015400066956812855 promising 0.014060930699698694 inhibition 0.011215266153331101 crystal 0.002343488449949782 cell 0.0018413123535319718 vitro 0.0
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