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Application

Discovery Studio 0.9232499297160529 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08075076385857705 Amorphous Cell 0.24705368834570057 Blends 0.004801396769969445 CASTEP 0.5621999127018769 CDOCKER 0.19423832387603668 CHARMm 0.24181580096027935 COMPASS 0.41379310344827586 COMPASS III 0.01178524661719773 COSMObase 8.729812309035355E-4 COSMOconf 4.3649061545176777E-4 COSMOmic 0.0 COSMOperm 0.0013094718463553033 COSMOquick 0.0013094718463553033 COSMOtherm 0.08598865124399825 Catalyst 0.1623745089480576 Classical Simulations 0.9877782627673505 Conformers 0.0013094718463553033 Crystallization 0.08424268878219118 DFTB Plus 0.008729812309035356 DMol3 0.28415539065910084 DPD 0.007420340462680052 Discover 0.018769096464426014 Forcite 0.47402880838061984 GULP 0.04015713662156264 LUDI 0.008293321693583587 LibDock 0.0785683107813182 LigandFit 0.009166302924487123 MCSS 0.0026189436927106066 MODELER 0.09995635093845483 MesoDyn 0.001745962461807071 Mesocite 0.009166302924487123 Mesoscale 0.01571366215626364 Morphology 0.018332605848974247 ONETEP 0.0030554343081623746 Polymorph 0.003491924923614142 QMERA 0.0 QSAR 0.00392841553906591 Quantum Mechanics 0.8323876036665212 Reflex 0.06198166739415103 Reflex Plus 0.001745962461807071 Semi-empirical 0.01571366215626364 Sorption 0.04277608031427324 Synthia 4.3649061545176777E-4 TURBOMOLE 4.3649061545176777E-4 VAMP 0.006110868616324749 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03884766477520733

Year

2022 0.0

Keywords

target 1.0 visualization 0.21804747681182204 docking 0.18503379971702563 potential 0.1694702090866216 between 0.15500707435937747 analysis 0.11932086149976419 energy 0.08662160037729917 novel 0.0735733375255463 experimental 0.06099669863229052 binding 0.053450715296337055 interaction 0.05250746737934287 activity 0.05203584342084578 cell 0.042131740292406857 synthesized 0.031598805219305144 well 0.028140229523659802 mechanism 0.023109573966357492 chemical 0.022952365980191795 synthesis 0.021223078132369125 protein 0.017292878478226695 surface 0.011790598962427292 design 0.006602735418959283 higher 0.005345071529633706 promising 0.0037729916679767332 stability 7.860399308284861E-4 compound 0.0
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