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Application
Discovery Studio
0.6494785631517961
Materials Studio
1.0
Solvation Chemistry
0.0
Modules
Adsorption Locator
0.08436724565756824
Amorphous Cell
0.10918114143920596
Antibody
0.0
Blends
0.0034739454094292804
CASTEP
0.6486352357320099
CDOCKER
0.24615384615384617
CHARMm
0.25905707196029776
COMPASS
0.2823821339950372
COMPASS III
0.00794044665012407
COSMOconf
4.962779156327543E-4
COSMOtherm
0.03176178660049628
Catalyst
0.2794044665012407
Classical Simulations
0.8540942928039702
Conformers
0.001488833746898263
Crystallization
0.15831265508684864
DFTB Plus
0.005955334987593052
DMol3
0.36823821339950374
DPD
0.008933002481389578
Discover
0.03722084367245657
Equilibria
0.0
Forcite
0.32655086848635234
GULP
0.034739454094292806
LUDI
0.00794044665012407
LibDock
0.044168734491315136
LigandFit
0.03771712158808933
MCSS
0.0024813895781637717
MODELER
0.15732009925558313
MesoDyn
0.0034739454094292804
Mesocite
0.003970223325062035
Mesoscale
0.01488833746898263
Morphology
0.017369727047146403
ONETEP
0.0
Polymorph
0.005955334987593052
QMERA
9.925558312655087E-4
QSAR
0.002977667493796526
Quantum Mechanics
1.0
Reflex
0.12555831265508685
Reflex Plus
0.01240694789081886
Semi-empirical
0.017866004962779156
Sorption
0.046153846153846156
Synthia
0.001488833746898263
TURBOMOLE
4.962779156327543E-4
VAMP
0.009925558312655087
Visualization
0.569727047146402
X-Cell
0.005459057071960298
ZDOCK
0.006947890818858561
Year
2003
0.0
2004
0.02225519287833828
2005
0.02373887240356083
2006
0.04599406528189911
2007
0.05192878338278932
2008
0.08753709198813056
2009
0.13649851632047477
2010
0.15281899109792285
2011
0.17804154302670624
2012
0.23590504451038577
2013
0.4258160237388724
2014
0.5771513353115727
2015
0.7344213649851632
2016
0.5934718100890207
2017
0.6691394658753709
2018
0.7403560830860534
2019
0.6023738872403561
2020
0.6513353115727003
2021
0.38724035608308605
2022
1.0
2023
0.857566765578635
2024
0.39317507418397624
2025
0.0830860534124629
2026
0.050445103857566766
Keywords
synthesized
1.0
target
0.9702989771833203
synthesis
0.28422501966955155
novel
0.19571203776553894
compound
0.12785208497246262
docking
0.12332808811959087
potential
0.10208497246262785
between
0.10169158143194335
activity
0.07061369000786782
visualization
0.06963021243115657
designed
0.06471282454760031
analysis
0.05625491738788355
experimental
0.04956726986624705
design
0.045043273013375296
potent
0.027340676632572777
x-ray
0.02675059008654603
energy
0.025963808025177025
well
0.024390243902439025
chemical
0.016915814319433516
promising
0.012195121951219513
binding
0.010424862313139261
medicinal
0.006294256490952006
inhibition
0.0051140833988985055
crystal
0.0011801730920535012
cell
0.0
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