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Application

Discovery Studio 0.8735035012423763 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06858362121520016 Amorphous Cell 0.2877463930095509 Blends 0.002438528754318228 CASTEP 0.4044909571225361 CDOCKER 0.155049786628734 CHARMm 0.23724852672221095 COMPASS 0.3740093476935582 COMPASS III 0.0840276366592156 COSMObase 0.003454582401950823 COSMOconf 0.004267425320056899 COSMOmic 2.03210729526519E-4 COSMOperm 0.0013208697419223735 COSMOplex 3.048160942897785E-4 COSMOquick 0.0015240804714488924 COSMOtherm 0.06502743344848608 Cantera 0.0 Catalyst 0.10892095102621419 Classical Simulations 1.0 Conformers 8.12842918106076E-4 Crystallization 0.07640723430197115 DFTB Plus 0.005893111156269051 DMol3 0.181670392196708 DPD 0.0031497663076610447 Discover 0.003861003861003861 Forcite 0.5526315789473685 GULP 0.02418207681365576 Kinetix 2.03210729526519E-4 LUDI 0.003861003861003861 LibDock 0.06431619589514326 LigandFit 0.005080268238162975 MCSS 4.06421459053038E-4 MODELER 0.18573460678723835 MesoDyn 0.001016053647632595 Mesocite 0.003962609225767121 Mesoscale 0.007213980898191425 Modules 0.0 Morphology 0.01798414956309693 ONETEP 0.0011176590123958545 Polymorph 0.0021337126600284497 QMERA 2.03210729526519E-4 QSAR 0.0011176590123958545 Quantum Mechanics 0.574781548465759 Reflex 0.05567973989026621 Reflex Plus 9.144482828693355E-4 Semi-empirical 0.007620402357244462 Sorption 0.0566957935378988 Synthia 0.0013208697419223735 TURBOMOLE 5.080268238162975E-4 VAMP 0.0013208697419223735 Visualization 0.7522861207071734 X-Cell 0.0013208697419223735 ZDOCK 0.02702702702702703

Year

2021 0.0018079913216416561 2022 0.13523775085879589 2023 0.2118965828964021 2024 0.6898390887723739 2025 1.0 2026 0.3841981558488519 2027 0.0

Keywords

target 1.0 potential 0.27204468455269665 docking 0.19668528523029027 analysis 0.18903946525043494 visualization 0.17928761102463145 between 0.15781521838659462 novel 0.09706070872630712 energy 0.09632817507554253 cell 0.0678967127552422 binding 0.06331837743796356 promising 0.060662942953941944 activity 0.045508653053749654 stability 0.03928211702225071 performance 0.03635198241919238 experimental 0.03209413057412325 interaction 0.030491713213075727 synthesized 0.027790495375881328 effective 0.0218386594634191 mechanism 0.020694075634099442 development 0.017077190733449318 including 0.016756707261239814 synthesis 0.007416903213991393 protein 0.006089185971980588 design 0.0019229008332570278 chemical 0.0
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