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Application

Discovery Studio 1.0 Materials Studio 0.1965497737556561 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.026423957721667644 Amorphous Cell 0.10510863182618908 Blends 0.0 CASTEP 0.08866705813270699 CDOCKER 0.28479154433352905 CHARMm 0.4509688784497945 COMPASS 0.1444509688784498 COMPASS III 0.03288314738696418 COSMObase 0.0017615971814445098 COSMOconf 0.002935995302407516 COSMOquick 5.871990604815032E-4 COSMOtherm 0.02172636523781562 Catalyst 0.1262477980035232 Classical Simulations 0.7298884321785085 Crystallization 0.029359953024075163 DFTB Plus 0.0011743981209630064 DMol3 0.04638872577803876 DPD 0.0017615971814445098 Discover 0.002935995302407516 Forcite 0.21080446271285966 GULP 0.004697592483852026 LUDI 0.005871990604815032 LibDock 0.11685261303581915 LigandFit 0.005871990604815032 MODELER 0.44216089254257196 MesoDyn 0.0011743981209630064 Mesocite 0.0 Mesoscale 0.0035231943628890195 Morphology 0.007046388725778039 Polymorph 0.0 QSAR 5.871990604815032E-4 Quantum Mechanics 0.13270698766881972 Reflex 0.020551967116852612 Reflex Plus 5.871990604815032E-4 Semi-empirical 0.0017615971814445098 Sorption 0.015854374633000587 VAMP 0.0 Visualization 1.0 X-Cell 5.871990604815032E-4 ZDOCK 0.04756312389900176

Year

2025 0.0

Keywords

target 1.0 docking 0.45290172061825607 potential 0.436862058909303 analysis 0.28404782735491396 visualization 0.2811315252260134 binding 0.18722659667541558 activity 0.12219305920093322 novel 0.12190142898804317 promising 0.11081948089822105 between 0.08194808982210557 therapeutic 0.08165645960921551 protein 0.07436570428696412 silico 0.049868766404199474 including 0.04374453193350831 vitro 0.04141149023038787 inhibition 0.03412073490813648 compound 0.020122484689413824 development 0.019247594050743656 synthesis 0.016331291921843103 treatment 0.011956838728492273 strong 0.009623797025371828 interaction 0.007874015748031496 stability 0.006124234470691163 synthesized 2.9163021289005544E-4 modeler 0.0
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