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Application
Discovery Studio
0.6991758241758241
Materials Studio
1.0
Solvation Chemistry
0.0
Modules
Adsorption Locator
0.09062003179650238
Amorphous Cell
0.10651828298887123
Antibody
0.0
Blends
0.001589825119236884
CASTEP
0.6454689984101749
CDOCKER
0.2559618441971383
CHARMm
0.3108108108108108
COMPASS
0.29093799682034976
COMPASS III
0.00397456279809221
COSMOconf
7.94912559618442E-4
COSMOtherm
0.033386327503974564
Catalyst
0.32591414944356123
Classical Simulations
0.9284578696343402
Conformers
0.0023847376788553257
Crystallization
0.15659777424483307
DFTB Plus
0.005564387917329093
DMol3
0.37201907790143085
DPD
0.007154213036565978
Discover
0.034976152623211444
Equilibria
0.0
Forcite
0.32829888712241656
GULP
0.04054054054054054
LUDI
0.011128775834658187
LibDock
0.04451510333863275
LigandFit
0.05643879173290938
MCSS
0.0
MODELER
0.18521462639109698
MesoDyn
0.00397456279809221
Mesocite
0.005564387917329093
Mesoscale
0.015103338632750398
Morphology
0.01589825119236884
Polymorph
0.007154213036565978
QMERA
7.94912559618442E-4
QSAR
0.003179650238473768
Quantum Mechanics
1.0
Reflex
0.12559618441971382
Reflex Plus
0.012718600953895072
Semi-empirical
0.017488076311605722
Sorption
0.04769475357710652
Synthia
0.0
TURBOMOLE
7.94912559618442E-4
VAMP
0.009538950715421303
Visualization
0.5961844197138315
X-Cell
0.00397456279809221
ZDOCK
0.007154213036565978
Year
2003
0.0
2004
0.024469820554649267
2005
0.026101141924959218
2006
0.05057096247960848
2007
0.057096247960848286
2008
0.09624796084828711
2009
0.1500815660685155
2010
0.16802610114192496
2011
0.19575856443719414
2012
0.2544861337683524
2013
0.31158238172920066
2014
0.45024469820554647
2015
0.5187601957585645
2016
0.3915171288743883
2017
0.3719412724306688
2018
0.44208809135399674
2019
0.19412724306688417
2020
0.4290375203915171
2021
0.3278955954323002
2022
1.0
2023
0.3637846655791191
2024
0.2544861337683524
2025
0.09135399673735727
2026
0.05546492659053834
Keywords
synthesized
1.0
target
0.9711104423713511
synthesis
0.29160397231417395
novel
0.20764369545591332
compound
0.13331327114053565
docking
0.12669274751730364
potential
0.10773397532350286
between
0.10442371351188685
activity
0.07553415588323804
designed
0.07402949142341259
visualization
0.07252482696358711
analysis
0.058380981041227804
experimental
0.049352994282275055
design
0.048149262714414685
potent
0.03851941017153175
medicinal
0.026482094492928078
chemical
0.02527836292506771
energy
0.022269034005416792
well
0.021366235329521515
x-ray
0.01865783930183569
binding
0.016250376166114956
inhibition
0.010532651218778213
promising
0.009629852542882938
catalyst
0.006018657839301836
vitro
0.0
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