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Application

Discovery Studio 1.0 Materials Studio 0.8450568044476674 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06414300736067298 Amorphous Cell 0.24465474938661058 Blends 0.004556607080266386 CASTEP 0.39046617595513494 CDOCKER 0.169645986680687 CHARMm 0.2653347353662811 COMPASS 0.3852085524009814 COMPASS III 0.027339642481598318 COSMObase 3.505082369435682E-4 COSMOconf 3.505082369435682E-4 COSMOmic 0.0 COSMOperm 3.505082369435682E-4 COSMOplex 7.010164738871364E-4 COSMOquick 0.0017525411847178409 COSMOtherm 0.06449351559761654 Catalyst 0.18752190676480898 Classical Simulations 0.9463722397476341 Conformers 0.0035050823694356818 Crystallization 0.07500876270592359 DFTB Plus 0.005958640028040659 DMol3 0.2036452856642131 DPD 0.00385559060637925 Discover 0.010865755345250614 Forcite 0.4745881528215913 GULP 0.03399929898352611 LUDI 0.006659656501927795 LibDock 0.0694006309148265 LigandFit 0.0077111812127585 MCSS 3.505082369435682E-4 MODELER 0.07430774623203645 MesoDyn 0.0028040658955485456 Mesocite 0.005608131791097091 Mesoscale 0.010865755345250614 Morphology 0.02138100245355766 ONETEP 0.0014020329477742728 Polymorph 0.0017525411847178409 QMERA 7.010164738871364E-4 QSAR 0.002103049421661409 Quantum Mechanics 0.5790396074307746 Reflex 0.052576235541535225 Reflex Plus 7.010164738871364E-4 Semi-empirical 0.009113214160532773 Sorption 0.043463021381002456 Synthia 3.505082369435682E-4 TURBOMOLE 7.010164738871364E-4 VAMP 0.0017525411847178409 Visualization 1.0 X-Cell 3.505082369435682E-4 ZDOCK 0.028040658955485454

Year

2023 0.0

Keywords

target 1.0 visualization 0.2519357613994838 docking 0.24175509033553197 potential 0.20605104674505306 analysis 0.14338973329509608 between 0.13435618009750502 novel 0.07757384571264697 binding 0.06882707198164612 energy 0.06051046745053054 activity 0.050616575853168914 interaction 0.050473186119873815 cell 0.04287353025523372 protein 0.03728133065672498 experimental 0.025523372526527102 synthesized 0.024949813593346717 mechanism 0.01347863492973903 synthesis 0.010037281330656725 compound 0.009176942930886148 drug 0.005018640665328362 chemical 0.004301691998852882 silico 0.0014338973329509608 well 0.0014338973329509608 promising 0.0011471178663607685 development 0.0010037281330656726 stability 0.0
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