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Application

Discovery Studio 0.8917581754555327 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.069593147751606 Amorphous Cell 0.2845494976115961 Blends 0.00255312139680448 CASTEP 0.41764124526437163 CDOCKER 0.1586229616208203 CHARMm 0.2404052050732993 COMPASS 0.37975621808598253 COMPASS III 0.07725251194201943 COSMObase 0.003129632679953879 COSMOconf 0.003541426453632021 COSMOmic 2.470762642068852E-4 COSMOperm 0.0014000988305056827 COSMOplex 3.2943501894251357E-4 COSMOquick 0.001482457585241311 COSMOtherm 0.06465162246746829 Cantera 8.235875473562839E-5 Catalyst 0.11711414923406357 Classical Simulations 1.0 Conformers 9.883050568275408E-4 Crystallization 0.07725251194201943 DFTB Plus 0.005929830340965244 DMol3 0.19016636468456596 DPD 0.003129632679953879 Discover 0.004365014000988305 Forcite 0.5464503376708945 GULP 0.02676659528907923 Kinetix 2.470762642068852E-4 LUDI 0.004365014000988305 LibDock 0.0661340800527096 LigandFit 0.005847471586229616 MCSS 8.23587547356284E-4 MODELER 0.1644704332070499 MesoDyn 0.001647175094712568 Mesocite 0.004365014000988305 Mesoscale 0.007988799209355954 Modules 0.0 Morphology 0.01795420853236699 ONETEP 0.0010706638115631692 Polymorph 0.0019766101136550816 QMERA 2.470762642068852E-4 QSAR 0.001235381321034426 Quantum Mechanics 0.5956185142480646 Reflex 0.05690989952231922 Reflex Plus 7.412287926206556E-4 Semi-empirical 0.008071157964091583 Sorption 0.05616867072969857 Synthia 0.0015648163399769395 TURBOMOLE 5.765112831493988E-4 VAMP 0.0017295338494481964 Visualization 0.7950914182177565 X-Cell 0.001235381321034426 ZDOCK 0.027837259100642397

Year

2021 0.003415061295971979 2022 0.2276707530647986 2023 0.3777583187390543 2024 0.9711908931698774 2025 1.0 2026 0.3722416812609457 2027 0.0

Keywords

target 1.0 potential 0.26136281523231447 docking 0.19629308476045956 visualization 0.18942842690945877 analysis 0.17887853168581544 between 0.15589999277404437 novel 0.09570778235421634 energy 0.09303417877014235 cell 0.06152901221186502 binding 0.05965026374738059 promising 0.04722162005925284 activity 0.04263313823253125 interaction 0.035696220825204135 stability 0.03208324300888792 experimental 0.03161355589276682 performance 0.02760315051665583 synthesized 0.026627646506250453 effective 0.01828166775056001 mechanism 0.018064889081581038 development 0.014704819712406966 including 0.010333116554664354 protein 0.009285352987932654 synthesis 0.008093070308548306 chemical 0.001878748464484428 design 0.0
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