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Application

Discovery Studio 0.8104347826086956 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08112449799196787 Amorphous Cell 0.25742971887550203 Blends 0.004819277108433735 CASTEP 0.5843373493975904 CDOCKER 0.178714859437751 CHARMm 0.22248995983935743 COMPASS 0.42610441767068274 COMPASS III 0.012449799196787148 COSMObase 4.0160642570281126E-4 COSMOconf 4.0160642570281126E-4 COSMOmic 0.0 COSMOperm 0.0012048192771084338 COSMOplex 0.0 COSMOquick 0.0012048192771084338 COSMOtherm 0.08755020080321285 Catalyst 0.1493975903614458 Classical Simulations 1.0 Conformers 0.001606425702811245 Crystallization 0.0895582329317269 DFTB Plus 0.008032128514056224 DMol3 0.29156626506024097 DPD 0.009236947791164659 Discover 0.023694779116465864 Forcite 0.4863453815261044 GULP 0.04538152610441767 LUDI 0.007630522088353414 LibDock 0.07228915662650602 LigandFit 0.008433734939759036 MCSS 0.0024096385542168677 MODELER 0.09196787148594378 MesoDyn 0.0036144578313253013 Mesocite 0.010040160642570281 Mesoscale 0.01967871485943775 Morphology 0.023694779116465864 ONETEP 0.0036144578313253013 Polymorph 0.00321285140562249 QMERA 4.0160642570281126E-4 QSAR 0.004016064257028112 Quantum Mechanics 0.8626506024096385 Reflex 0.06265060240963856 Reflex Plus 0.001606425702811245 Semi-empirical 0.014859437751004016 Sorption 0.046987951807228916 Synthia 4.0160642570281126E-4 TURBOMOLE 0.0012048192771084338 VAMP 0.005622489959839358 Visualization 0.929718875502008 X-Cell 0.0 ZDOCK 0.0357429718875502

Year

2022 0.0

Keywords

target 1.0 visualization 0.1985315712187959 docking 0.16461086637298092 potential 0.16226138032305434 between 0.160352422907489 analysis 0.11497797356828193 energy 0.09295154185022027 novel 0.06798825256975037 experimental 0.0659324522760646 interaction 0.04933920704845815 binding 0.044640234948604994 cell 0.04361233480176212 activity 0.04243759177679882 well 0.03171806167400881 synthesized 0.025991189427312777 chemical 0.02555066079295154 mechanism 0.021439060205580028 surface 0.018649045521292217 synthesis 0.016740088105726872 protein 0.008076358296622614 higher 0.00631424375917768 design 0.005873715124816446 stability 0.0033773861967694566 promising 0.001762114537444934 adsorption 0.0
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