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Application

Discovery Studio 1.0 Materials Studio 0.9509199043966428 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0678386122512197 Amorphous Cell 0.27476186788507706 Blends 0.002787888174707659 CASTEP 0.4070316735073182 CDOCKER 0.17966390459227136 CHARMm 0.26422984589173704 COMPASS 0.37024703786881435 COMPASS III 0.07411136064431194 COSMObase 0.002942770851080307 COSMOconf 0.00340741888019825 COSMOmic 2.3232401455897158E-4 COSMOperm 0.0013165027491675056 COSMOplex 3.097653527452954E-4 COSMOquick 0.0015488267637264771 COSMOtherm 0.06319213196004027 Cantera 0.0 Catalyst 0.1256098505382173 Classical Simulations 1.0 Conformers 9.292960582358863E-4 Crystallization 0.07519553937892047 DFTB Plus 0.005808100363974289 DMol3 0.18609153566173622 DPD 0.003252536203825602 Discover 0.00441415627662046 Forcite 0.5281499264307288 GULP 0.026175172306977464 Kinetix 2.3232401455897158E-4 LUDI 0.00542089367304267 LibDock 0.07256253388058545 LigandFit 0.007744133818632386 MCSS 0.0012390614109811817 MODELER 0.19251916673120112 MesoDyn 0.001626268101912801 Mesocite 0.00441415627662046 Mesoscale 0.008053899171377681 Modules 0.0 Morphology 0.017191977077363897 ONETEP 0.0012390614109811817 Polymorph 0.0019360334546580965 QMERA 2.3232401455897158E-4 QSAR 0.0013939440873538295 Quantum Mechanics 0.5814295671029195 Reflex 0.055680322155966855 Reflex Plus 6.969720436769148E-4 Semi-empirical 0.00782157515681871 Sorption 0.05428637806861303 Synthia 0.0013939440873538295 TURBOMOLE 5.42089367304267E-4 VAMP 0.001626268101912801 Visualization 0.9009525284596918 X-Cell 0.0012390614109811817 ZDOCK 0.03136374196546116

Year

2020 0.017063353167658384 2021 0.1948722436121806 2022 0.3002275113755688 2023 0.4148582429121456 2024 0.9862618130906545 2025 1.0 2026 0.37198109905495275 2027 0.0

Keywords

target 1.0 potential 0.2626693832670354 docking 0.22017399178551794 visualization 0.21664887940234792 analysis 0.17877817664370493 between 0.15015685133081078 novel 0.100352511238317 energy 0.0791048154975583 binding 0.07163416448368423 cell 0.05640179813072022 activity 0.053329452475663786 promising 0.04378901070469907 interaction 0.03945538630704052 synthesized 0.02820089906536011 experimental 0.02681025840043983 stability 0.025678341580155882 protein 0.02128003622133825 mechanism 0.017011092784838783 development 0.01642896413440704 effective 0.01604087836745254 synthesis 0.013388958959930145 performance 0.012903851751237023 including 0.007664693897351315 design 6.468096115908282E-5 chemical 0.0
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