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Application

Discovery Studio 1.0 Materials Studio 0.21855040266592612 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.10160734787600459 Amorphous Cell 0.06486796785304248 CASTEP 0.022962112514351322 CDOCKER 0.3243398392652124 CHARMm 0.44087256027554533 COMPASS 0.27210103329506313 COMPASS III 0.00975889781859931 COSMObase 0.0 COSMOtherm 0.009184845005740528 Catalyst 0.35706084959816303 Classical Simulations 0.8185993111366245 Conformers 5.74052812858783E-4 Crystallization 0.01320321469575201 DFTB Plus 0.0028702640642939152 DMol3 0.09070034443168772 DPD 0.0 Discover 0.02525832376578645 Forcite 0.23191733639494833 GULP 0.001722158438576349 LUDI 0.015499425947187142 LibDock 0.11021814006888633 LigandFit 0.05568312284730195 MCSS 0.003444316877152698 MODELER 0.3168771526980482 Mesocite 5.74052812858783E-4 Mesoscale 5.74052812858783E-4 Morphology 0.003444316877152698 ONETEP 0.0 QSAR 0.002296211251435132 Quantum Mechanics 0.11194029850746269 Reflex 0.008610792192881744 Reflex Plus 0.0 Semi-empirical 0.012055109070034443 Sorption 0.006314580941446613 VAMP 0.008610792192881744 Visualization 1.0 X-Cell 0.002296211251435132 ZDOCK 0.024110218140068886

Year

2002 0.0 2003 0.0016233766233766235 2005 0.0016233766233766235 2006 0.0016233766233766235 2007 0.006493506493506494 2008 0.01461038961038961 2009 0.027597402597402596 2010 0.06168831168831169 2011 0.09902597402597403 2012 0.09740259740259741 2013 0.1672077922077922 2014 0.17045454545454544 2015 0.20454545454545456 2016 0.2532467532467532 2017 0.31493506493506496 2018 0.3814935064935065 2019 0.5081168831168831 2020 0.5681818181818182 2021 0.6948051948051948 2022 0.7548701298701299 2023 0.8814935064935064 2024 1.0 2025 0.836038961038961 2026 0.12175324675324675

Keywords

inhibition 1.0 target 0.9594187003016178 docking 0.4277488346586235 potential 0.3246503975870579 visualization 0.2618590622429394 activity 0.19550315327666576 novel 0.1598574170551138 analysis 0.1469701124211681 binding 0.13380860981628737 inhibitor 0.11571154373457636 vitro 0.1072114066355909 compound 0.10337263504250069 synthesized 0.09734027968193035 potent 0.09596928982725528 synthesis 0.07211406635590896 inhibitory 0.0690978886756238 enzyme 0.05511379215793803 between 0.042774883465862355 protein 0.03701672607622704 drug 0.029339182890046615 promising 0.02056484782012613 silico 0.012338908692075679 treatment 0.010145324924595559 interaction 0.004112969564025226 active 0.0
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