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Application

Discovery Studio 1.0 Materials Studio 0.964493841994593 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06663384211390119 Amorphous Cell 0.2772033481043821 Blends 0.002461841457410143 CASTEP 0.4006236665025439 CDOCKER 0.17766289184309864 CHARMm 0.2632529131790579 COMPASS 0.36509108813392416 COMPASS III 0.07689151485311013 COSMObase 0.003118332512719514 COSMOconf 0.0035286394222878714 COSMOmic 1.6412276382734285E-4 COSMOperm 0.0013129821106187428 COSMOplex 2.461841457410143E-4 COSMOquick 0.0012309207287050715 COSMOtherm 0.06285901854587231 Cantera 8.206138191367142E-5 Catalyst 0.12809781716724108 Classical Simulations 1.0 Conformers 0.0010667979648777285 Crystallization 0.0735269981946496 DFTB Plus 0.006072542261611686 DMol3 0.18225832923026425 DPD 0.0029542097488921715 Discover 0.0040210077137699 Forcite 0.5304447726899721 GULP 0.0258493353028065 Kinetix 2.461841457410143E-4 LUDI 0.005744296733957 LibDock 0.0729525685212539 LigandFit 0.007385524372230428 MCSS 0.0013129821106187428 MODELER 0.18742819629082555 MesoDyn 0.001559166256359757 Mesocite 0.0040210077137699 Mesoscale 0.007549647136057771 Modules 0.0 Morphology 0.017314951583784672 ONETEP 9.026752010503857E-4 Polymorph 0.0018053504021007714 QMERA 2.461841457410143E-4 QSAR 0.0012309207287050715 Quantum Mechanics 0.5713934022648941 Reflex 0.0539963892991958 Reflex Plus 7.385524372230429E-4 Semi-empirical 0.0080420154275398 Sorption 0.05350402100771377 Synthia 0.0014771048744460858 TURBOMOLE 5.744296733957E-4 VAMP 0.001559166256359757 Visualization 0.8797800754964714 X-Cell 0.0011488593467914 ZDOCK 0.0304447726899721

Year

2020 0.0 2021 0.11229759299781182 2022 0.2789496717724289 2023 0.3975492341356674 2024 0.9038074398249453 2025 1.0 2026 0.3725164113785558 2027 4.37636761487965E-4

Keywords

target 1.0 potential 0.26804985030982387 docking 0.22049711063148367 visualization 0.21304741349300285 analysis 0.18251757989278006 between 0.14909837777623058 novel 0.10151082642901901 energy 0.0800320267353617 binding 0.07132910951751027 cell 0.05837916869734735 activity 0.052217503307108545 promising 0.04661282461881223 interaction 0.03815358908306064 synthesized 0.02927661352085219 stability 0.027779711759381744 experimental 0.026804985030982387 protein 0.020643319640743577 effective 0.01723177609134582 performance 0.01691847107150317 mechanism 0.016570354382789112 development 0.016222237694075055 synthesis 0.012741070806934485 including 0.009816890621736405 chemical 0.0014272784237276334 design 0.0
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