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Application

Discovery Studio 1.0 Materials Studio 0.9640879729314057 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06600964993327174 Amorphous Cell 0.27656298121342776 Blends 0.00256647161482394 CASTEP 0.37737398624371216 CDOCKER 0.1730828457037265 CHARMm 0.2670157068062827 COMPASS 0.3551996714916333 COMPASS III 0.08387229237244637 COSMObase 0.003593060260753516 COSMOconf 0.0042090134483112615 COSMOmic 2.053177291859152E-4 COSMOperm 0.0012319063751154912 COSMOplex 2.053177291859152E-4 COSMOquick 0.0013345652397084489 COSMOtherm 0.060876706703623856 Cantera 0.0 Catalyst 0.12452520275125757 Classical Simulations 1.0 Conformers 8.212709167436608E-4 Crystallization 0.0721691818088492 DFTB Plus 0.005338260958833795 DMol3 0.17051637408890258 DPD 0.0024638127502309825 Discover 0.0033877425315676007 Forcite 0.5322862129144852 GULP 0.022790267939636587 Kinetix 3.079765937788728E-4 LUDI 0.004619648906683092 LibDock 0.0716558874858844 LigandFit 0.005954214146391541 MCSS 8.212709167436608E-4 MODELER 0.1932039831639462 MesoDyn 0.001026588645929576 Mesocite 0.0033877425315676007 Mesoscale 0.006364849604763371 Modules 0.0 Morphology 0.01714403038702392 ONETEP 0.001026588645929576 Polymorph 0.0018478595626732369 QMERA 2.053177291859152E-4 QSAR 8.212709167436608E-4 Quantum Mechanics 0.537521815008726 Reflex 0.052458679807001335 Reflex Plus 9.239297813366184E-4 Semi-empirical 0.006980802792321117 Sorption 0.055846422338568937 Synthia 0.0012319063751154912 TURBOMOLE 6.159531875577456E-4 VAMP 0.0012319063751154912 Visualization 0.8443691612770763 X-Cell 0.0013345652397084489 ZDOCK 0.02956575300277179

Year

2021 0.0 2022 0.09659646316537812 2023 0.3471963032080334 2024 0.6097929441037946 2025 1.0 2026 0.3785657158091176 2027 7.997867235403892E-4

Keywords

target 1.0 potential 0.2858295602277312 docking 0.22907607477473438 visualization 0.2111893127717757 analysis 0.19774061953646838 between 0.1532702739050522 novel 0.1057067288295154 energy 0.08499574124714215 binding 0.07867485542654772 cell 0.0642847536647689 promising 0.06177433092751154 activity 0.05626036670103555 interaction 0.03855292060788094 stability 0.037701170036311474 synthesized 0.031335455238266016 performance 0.027300847267673824 experimental 0.02653875465100641 protein 0.023266239297081635 effective 0.023042094409826512 development 0.02129376428923656 mechanism 0.021024790424530416 including 0.01918680234903842 synthesis 0.014928049491191106 design 0.003675976150983996 chemical 0.0
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