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Application

Discovery Studio 0.8139677353481723 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.10572687224669604 Amorphous Cell 0.13729809104258445 Antibody 0.0 Blends 0.003303964757709251 CASTEP 0.6666666666666666 CDOCKER 0.2698237885462555 CHARMm 0.29919236417033773 COMPASS 0.3197503671071953 COMPASS III 0.02092511013215859 COSMObase 0.0 COSMOconf 7.342143906020558E-4 COSMOmic 0.0 COSMOperm 0.0 COSMOquick 3.671071953010279E-4 COSMOtherm 0.04001468428781204 Catalyst 0.29809104258443464 Classical Simulations 0.9695301027900147 Conformers 0.0014684287812041115 Crystallization 0.17547723935389134 DFTB Plus 0.006240822320117474 DMol3 0.35058737151248165 DPD 0.008443465491923641 Discover 0.03303964757709251 Equilibria 0.0 Forcite 0.3880323054331865 GULP 0.033773861967694566 LUDI 0.008443465491923641 LibDock 0.05983847283406755 LigandFit 0.02973568281938326 MCSS 0.003303964757709251 MODELER 0.1618942731277533 MesoDyn 0.003303964757709251 Mesocite 0.0025697503671071953 Mesoscale 0.013582966226138032 Morphology 0.019456681350954477 ONETEP 3.671071953010279E-4 Polymorph 0.005139500734214391 QMERA 0.0011013215859030838 QSAR 0.003303964757709251 Quantum Mechanics 1.0 Reflex 0.14243759177679882 Reflex Plus 0.011013215859030838 Semi-empirical 0.016152716593245228 Sorption 0.04955947136563876 Synthia 0.0025697503671071953 TURBOMOLE 7.342143906020558E-4 VAMP 0.008076358296622614 Visualization 0.8458149779735683 X-Cell 0.0047723935389133625 ZDOCK 0.006240822320117474

Year

2003 0.0 2004 0.013525698827772768 2005 0.014427412082957619 2006 0.027953110910730387 2007 0.031559963931469794 2008 0.05320108205590622 2009 0.0829576194770063 2010 0.09287646528403967 2011 0.109107303877367 2012 0.13796212804328223 2013 0.260595130748422 2014 0.3507664562669071 2015 0.4472497745716862 2016 0.42831379621280435 2017 0.47790802524797116 2018 0.4896302975653742 2019 0.6176735798016231 2020 0.6456266907123535 2021 0.45356176735798015 2022 0.8458070333633905 2023 1.0 2024 0.8674481514878268 2025 0.6771866546438232 2026 0.16321009918845808

Keywords

synthesized 1.0 target 0.9708432826442126 synthesis 0.30941309538770895 novel 0.2131456579112731 docking 0.1880105567424909 compound 0.15357546814125927 potential 0.1505592560010054 visualization 0.1334673872062335 activity 0.09651878848812366 between 0.09639311298227976 analysis 0.08608772150307906 designed 0.07125801181349754 experimental 0.05617695111222823 design 0.05454316953625738 binding 0.03895940681161242 potent 0.03405806208369989 promising 0.03292698253110469 energy 0.026517531733065227 inhibition 0.02438104813371874 vitro 0.020485107452557497 well 0.017720246323991454 x-ray 0.016463491265552344 chemical 0.013195928113610656 cell 0.008545934397385949 active 0.0
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