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Application

Discovery Studio 0.9635124298315958 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04767580452920143 Amorphous Cell 0.10011918951132301 Antibody 5.959475566150178E-4 Blends 0.005363528009535161 CASTEP 0.6376638855780691 CDOCKER 0.2520858164481526 CHARMm 0.4123957091775924 COMPASS 0.20083432657926104 COMPASS III 0.010727056019070322 COSMObase 5.959475566150178E-4 COSMOconf 5.959475566150178E-4 COSMOmic 0.0 COSMOquick 0.003575685339690107 COSMOtherm 0.09237187127532777 Catalyst 0.37961859356376637 Classical Simulations 0.9511323003575686 Conformers 5.959475566150178E-4 Crystallization 0.05959475566150179 DFTB Plus 0.0023837902264600714 DMol3 0.37246722288438616 DPD 0.0059594755661501785 Discover 0.02562574493444577 Forcite 0.23778307508939214 GULP 0.1299165673420739 LUDI 0.032777115613825986 LibDock 0.08224076281287247 LigandFit 0.09237187127532777 MCSS 0.004171632896305125 MODELER 0.40822407628128726 MesoDyn 0.003575685339690107 Mesocite 0.0029797377830750892 Mesoscale 0.012514898688915376 Morphology 0.01132300357568534 ONETEP 0.0059594755661501785 Polymorph 0.004171632896305125 QSAR 5.959475566150178E-4 Quantum Mechanics 1.0 Reflex 0.041716328963051254 Reflex Plus 0.0029797377830750892 Reflex QPA 5.959475566150178E-4 Semi-empirical 0.008939213349225268 Sorption 0.02562574493444577 TURBOMOLE 0.0017878426698450535 VAMP 0.0059594755661501785 Visualization 0.5834326579261025 X-Cell 0.0017878426698450535 ZDOCK 0.025029797377830752

Year

2003 0.0 2004 0.023228803716608595 2005 0.027874564459930314 2006 0.07665505226480836 2007 0.08246225319396051 2008 0.15563298490127758 2009 0.17770034843205576 2010 0.23344947735191637 2011 0.2148664343786295 2012 0.2032520325203252 2013 0.23577235772357724 2014 0.34494773519163763 2015 0.44018583042973286 2016 0.4901277584204414 2017 0.3948896631823461 2018 0.18466898954703834 2019 0.08013937282229965 2020 0.37514518002322883 2021 0.3042973286875726 2022 1.0 2023 0.16144018583042974 2024 0.38443670150987225 2025 0.13124274099883856 2026 0.047619047619047616

Keywords

potential 1.0 target 0.9519046605660779 docking 0.1510959778676314 between 0.14002979357310066 novel 0.11704618003830602 energy 0.10619280698020855 analysis 0.10512875079804214 binding 0.07065333049585018 visualization 0.06937646307725048 activity 0.06703553947648436 well 0.06618429453075123 experimental 0.059374334964886144 chemical 0.04426473717812301 interaction 0.028942328154926582 protein 0.025111725899127475 catalyst 0.01851457756969568 synthesized 0.016386465205362844 compound 0.016173653968929558 drug 0.014045541604596723 development 0.011917429240263885 design 0.010853373058097467 synthesis 0.005320280910832092 promising 0.0029793573100659713 modeler 0.001915301127899553 inhibition 0.0
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