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Application

Discovery Studio 1.0 Materials Studio 0.6591444270015698 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.09469335875436924 Amorphous Cell 0.111534795042898 Antibody 0.0 Blends 0.001271051795360661 CASTEP 0.32411820781696854 CDOCKER 0.24372418176040675 CHARMm 0.27105179536066093 COMPASS 0.25325707022561167 COMPASS III 0.033047346679377185 COSMObase 0.0 COSMOconf 3.1776294884016526E-4 COSMOmic 0.0 COSMOperm 3.1776294884016526E-4 COSMOquick 3.1776294884016526E-4 COSMOtherm 0.02478551000953289 Catalyst 0.2742294248490626 Classical Simulations 0.7934540832538926 Conformers 0.001271051795360661 Crystallization 0.10740387670797585 DFTB Plus 0.0044486812837623135 DMol3 0.14299332697807435 DPD 0.001271051795360661 Discover 0.0022243406418811567 Forcite 0.35684779154750557 GULP 0.012392755004766444 LUDI 0.00794407372100413 LibDock 0.06514140451223388 LigandFit 0.011439466158245948 MCSS 0.0031776294884016524 MODELER 0.13886240864315222 MesoDyn 9.532888465204957E-4 Mesocite 0.001271051795360661 Mesoscale 0.0038131553860819827 Morphology 0.013028280902446775 Polymorph 0.0015888147442008262 QMERA 0.0 QSAR 0.0015888147442008262 Quantum Mechanics 0.4591674610740388 Reflex 0.09151572926596759 Reflex Plus 0.0022243406418811567 Semi-empirical 0.00794407372100413 Sorption 0.03590721321893867 Synthia 0.0019065776930409914 TURBOMOLE 0.0 VAMP 0.002859866539561487 Visualization 1.0 X-Cell 0.0015888147442008262 ZDOCK 0.006355258976803305

Year

2015 0.05393258426966292 2016 0.06179775280898876 2017 0.0848314606741573 2018 0.12191011235955056 2019 0.24044943820224718 2020 0.25280898876404495 2021 0.3949438202247191 2022 0.6005617977528089 2023 0.848314606741573 2024 1.0 2025 0.9174157303370787 2026 0.298314606741573 2027 0.0

Keywords

synthesized 1.0 target 0.9675813828356201 synthesis 0.36696260425073984 docking 0.34167339252085016 novel 0.2666128598331988 visualization 0.2546408393866021 potential 0.24253430185633576 compound 0.19760559591068066 activity 0.14998654829163305 analysis 0.13317191283292978 binding 0.09416195856873823 designed 0.08945386064030132 design 0.08434221146085553 promising 0.080575733118106 potent 0.0769437718590261 between 0.07667473769168684 vitro 0.07277374226526769 inhibition 0.06846919558783966 experimental 0.02986279257465698 active 0.026230831315577078 cell 0.01842884046273877 drug 0.006860371267150928 effective 0.004304546677428033 well 0.0018832391713747645 energy 0.0
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