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Application

Discovery Studio 1.0 Materials Studio 0.7902307461792029 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.054304635761589407 Amorphous Cell 0.17439293598233996 Blends 0.0026490066225165563 CASTEP 0.43002207505518764 CDOCKER 0.19646799116997793 CHARMm 0.2445916114790287 COMPASS 0.29845474613686535 COMPASS III 0.006181015452538631 COSMObase 4.415011037527594E-4 COSMOconf 8.830022075055188E-4 COSMOperm 4.415011037527594E-4 COSMOquick 0.0013245033112582781 COSMOtherm 0.0640176600441501 Catalyst 0.16423841059602648 Classical Simulations 0.7841059602649006 Conformers 0.0013245033112582781 Crystallization 0.054304635761589407 DFTB Plus 0.005739514348785872 DMol3 0.21721854304635763 DPD 0.006181015452538631 Discover 0.01456953642384106 Forcite 0.3448123620309051 GULP 0.0282560706401766 LUDI 0.008388520971302429 LibDock 0.07947019867549669 LigandFit 0.009271523178807948 MCSS 0.0026490066225165563 MODELER 0.1011037527593819 MesoDyn 0.0013245033112582781 Mesocite 0.006622516556291391 Mesoscale 0.011479028697571744 Morphology 0.011920529801324504 ONETEP 0.003532008830022075 Polymorph 0.002207505518763797 QSAR 0.0026490066225165563 Quantum Mechanics 0.6379690949227373 Reflex 0.039735099337748346 Reflex Plus 4.415011037527594E-4 Semi-empirical 0.010596026490066225 Sorption 0.031346578366445915 Synthia 4.415011037527594E-4 TURBOMOLE 0.0 VAMP 0.004415011037527594 Visualization 1.0 X-Cell 0.0 ZDOCK 0.039293598233995586

Year

2022 0.0

Keywords

target 1.0 visualization 0.2657574640619241 docking 0.23018798378179137 potential 0.18190195355694802 between 0.14154072981938814 analysis 0.12182086251382233 novel 0.08422410615554736 binding 0.07335053446369333 activity 0.06800589753040914 energy 0.06173977147069665 interaction 0.05105049760412827 experimental 0.03796535200884629 protein 0.0340950976778474 synthesis 0.03059343899741983 synthesized 0.028566162919277552 cell 0.027460375967563583 well 0.019535569480280134 mechanism 0.01142646516771102 chemical 0.010689273866568375 drug 0.00792480648728345 compound 0.0075562108367121265 promising 0.002580169553999263 vitro 0.001474382602285293 design 0.0012900847769996315 silico 0.0
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