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Application

Discovery Studio 1.0 Materials Studio 0.8818255908720456 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05703883495145631 Amorphous Cell 0.17597087378640777 Blends 0.003033980582524272 CASTEP 0.5048543689320388 CDOCKER 0.2032766990291262 CHARMm 0.23847087378640777 COMPASS 0.3094660194174757 COMPASS III 0.0018203883495145632 COSMOconf 0.0 COSMOperm 0.0018203883495145632 COSMOplex 6.067961165048543E-4 COSMOquick 6.067961165048543E-4 COSMOtherm 0.06674757281553398 Catalyst 0.06674757281553398 Classical Simulations 0.816747572815534 Conformers 0.0012135922330097086 Crystallization 0.06614077669902912 DFTB Plus 0.0036407766990291263 DMol3 0.2524271844660194 DPD 0.009708737864077669 Discover 0.012742718446601941 Forcite 0.3246359223300971 GULP 0.05461165048543689 LUDI 0.006674757281553398 LibDock 0.06553398058252427 LigandFit 0.012135922330097087 MCSS 0.0024271844660194173 MODELER 0.26152912621359226 MesoDyn 0.006067961165048544 Mesocite 0.010922330097087379 Mesoscale 0.02063106796116505 Morphology 0.01820388349514563 ONETEP 0.00424757281553398 Polymorph 0.0024271844660194173 QMERA 0.0012135922330097086 QSAR 0.0024271844660194173 Quantum Mechanics 0.7408980582524272 Reflex 0.043689320388349516 Reflex Plus 0.0036407766990291263 Semi-empirical 0.010315533980582525 Sorption 0.028519417475728157 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.00424757281553398 Visualization 1.0 X-Cell 0.0 ZDOCK 0.027912621359223302

Year

2021 0.0

Keywords

target 1.0 visualization 0.2443289224952741 docking 0.19919659735349715 potential 0.18407372400756145 between 0.15359168241965973 analysis 0.13705103969754254 novel 0.08601134215500945 binding 0.0661625708884688 activity 0.06379962192816635 experimental 0.04891304347826087 energy 0.04773156899810964 interaction 0.04607750472589792 well 0.03520793950850662 synthesized 0.030245746691871456 protein 0.02717391304347826 cell 0.022920604914933838 synthesis 0.018667296786389415 chemical 0.01772211720226843 mechanism 0.008979206049149339 compound 0.008034026465028356 promising 0.005907372400756144 drug 0.005198487712665407 surface 0.002835538752362949 development 0.001890359168241966 design 0.0
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