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Application

Discovery Studio 1.0 Materials Studio 0.9886571254567601 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0648692479221569 Amorphous Cell 0.2789377660652747 Blends 0.002533954996959254 CASTEP 0.3988445165213866 CDOCKER 0.1739306709912832 CHARMm 0.25755118589093856 COMPASS 0.3676261909588486 COMPASS III 0.0822015001013582 COSMObase 0.0034461787958645854 COSMOconf 0.004257044394891546 COSMOmic 1.0135819987837016E-4 COSMOperm 0.0011149401986620718 COSMOplex 3.040745996351105E-4 COSMOquick 0.001216298398540442 COSMOtherm 0.06649097912021082 Cantera 0.0 Catalyst 0.11048043786742348 Classical Simulations 1.0 Conformers 9.122237989053314E-4 Crystallization 0.07378876951145348 DFTB Plus 0.00638556659233732 DMol3 0.18214068518143117 DPD 0.002533954996959254 Discover 0.004763835394283398 Forcite 0.5318264747618082 GULP 0.02564362456922765 Kinetix 2.0271639975674033E-4 LUDI 0.004966551794040138 LibDock 0.07176160551388608 LigandFit 0.00648692479221569 MCSS 0.001317656598418812 MODELER 0.21325765254409082 MesoDyn 0.0016217311980539226 Mesocite 0.0036488951956213257 Mesoscale 0.006993715791607541 Modules 0.0 Morphology 0.01773768497871478 ONETEP 7.095073991485911E-4 Polymorph 0.002027163997567403 QMERA 2.0271639975674033E-4 QSAR 0.0014190147982971822 Quantum Mechanics 0.56902493411717 Reflex 0.05361848773565781 Reflex Plus 7.095073991485911E-4 Semi-empirical 0.008412730589904723 Sorption 0.055037502533955 Synthia 0.0017230893979322927 TURBOMOLE 5.067909993918508E-4 VAMP 0.0016217311980539226 Visualization 0.8512061625785526 X-Cell 0.001216298398540442 ZDOCK 0.030508818163389417

Year

2020 0.03349690633667591 2021 0.16119052698954556 2022 0.18508640921698313 2023 0.3252613612118626 2024 0.836462556005974 2025 1.0 2026 0.45316833795604866 2027 0.0

Keywords

target 1.0 potential 0.267321568286534 docking 0.214204990002608 visualization 0.20351212727114665 analysis 0.1843866817351995 between 0.15126488742067287 novel 0.09775710684169348 energy 0.08158741197948362 binding 0.06898200469442754 cell 0.05833260888463879 activity 0.051204033730331215 promising 0.05116056680865861 interaction 0.033339128922889684 stability 0.026862557593671215 experimental 0.02681909067199861 synthesized 0.025906285316873858 performance 0.01916891245761975 protein 0.016995566373989395 development 0.016343562548900285 mechanism 0.015865426410501607 effective 0.014257150308615144 including 0.010084325828044858 synthesis 0.008041380509432322 design 0.0016517430235590716 chemical 0.0
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