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Physical Chemistry Chemical Physics : PCCP
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February 26, 2015
Frequency-dependent force fields for QMMM calculations
Ignat Harczuk, Olav Vahtras, Hans Ågren
Journal of Chemical Theory and Computation
|
November 20, 2015
pH-Induced Modulation of One- and Two-Photon Absorption Properties in a Naphthalene-Based Molecular Probe
N Arul Murugan, Jacob Kongsted, Hans Ågren
ACS Chemical Neuroscience
|
October 3, 2018
Mechanistic Insight into the Binding Profile of DCVJ and α-Synuclein Fibril Revealed by Multiscale Simulations
Guanglin Kuang, N Arul Murugan, Hans Ågren
The Journal of Physical Chemistry. B
|
March 23, 2011
Solvent dependence of structure, charge distribution, and absorption spectrum in the photochromic merocyanine-spiropyran pair
N Arul Murugan, Swapan Chakrabarti, Hans Ågren
ACS Chemical Neuroscience
|
September 15, 2016
Multistep Modeling Strategy To Improve the Binding Affinity Prediction of PET Tracers to Aβ<sub>42</sub>: Case Study with Styrylbenzoxazole Derivatives
Kanagasabai Balamurugan, Natarajan Arul Murugan, Hans Ågren
ACS Chemical Neuroscience
|
April 10, 2018
Different Positron Emission Tomography Tau Tracers Bind to Multiple Binding Sites on the Tau Fibril: Insight from Computational Modeling
N Arul Murugan, Agneta Nordberg, Hans Ågren
ACS Chemical Neuroscience
|
June 21, 2021
Cryptic Sites in Tau Fibrils Explain the Preferential Binding of the AV-1451 PET Tracer toward Alzheimer's Tauopathy
N Arul Murugan, Agneta Nordberg, Hans Ågren
Journal of Chemical Theory and Computation
|
November 21, 2015
Role of Protonation State and Solvation on the pH Dependent Optical Properties of Bromocresol Green
N Arul Murugan, Sigurd Schrader, Hans Ågren
Physical Chemistry Chemical Physics : PCCP
|
July 26, 2018
Unusual binding-site-specific photophysical properties of a benzothiazole-based optical probe in amyloid beta fibrils
N Arul Murugan, Robert Zaleśny, Hans Ågren
Journal of Chemical Theory and Computation
|
December 4, 2015
Heisenberg Exchange in Dinuclear Manganese Complexes: A Density Functional Theory Study
Elias Rudberg, Paweł Sałek, Zilvinas Rinkevicius, et al.
Page
of 35
Search research articles
Search
Showing results (21-30 of 341) with videos related to
Sort By:
Page
of 35
Physical Chemistry Chemical Physics : PCCP
|
February 26, 2015
Frequency-dependent force fields for QMMM calculations
Ignat Harczuk, Olav Vahtras, Hans Ågren
Journal of Chemical Theory and Computation
|
November 20, 2015
pH-Induced Modulation of One- and Two-Photon Absorption Properties in a Naphthalene-Based Molecular Probe
N Arul Murugan, Jacob Kongsted, Hans Ågren
ACS Chemical Neuroscience
|
October 3, 2018
Mechanistic Insight into the Binding Profile of DCVJ and α-Synuclein Fibril Revealed by Multiscale Simulations
Guanglin Kuang, N Arul Murugan, Hans Ågren
The Journal of Physical Chemistry. B
|
March 23, 2011
Solvent dependence of structure, charge distribution, and absorption spectrum in the photochromic merocyanine-spiropyran pair
N Arul Murugan, Swapan Chakrabarti, Hans Ågren
ACS Chemical Neuroscience
|
September 15, 2016
Multistep Modeling Strategy To Improve the Binding Affinity Prediction of PET Tracers to Aβ<sub>42</sub>: Case Study with Styrylbenzoxazole Derivatives
Kanagasabai Balamurugan, Natarajan Arul Murugan, Hans Ågren
ACS Chemical Neuroscience
|
April 10, 2018
Different Positron Emission Tomography Tau Tracers Bind to Multiple Binding Sites on the Tau Fibril: Insight from Computational Modeling
N Arul Murugan, Agneta Nordberg, Hans Ågren
ACS Chemical Neuroscience
|
June 21, 2021
Cryptic Sites in Tau Fibrils Explain the Preferential Binding of the AV-1451 PET Tracer toward Alzheimer's Tauopathy
N Arul Murugan, Agneta Nordberg, Hans Ågren
Journal of Chemical Theory and Computation
|
November 21, 2015
Role of Protonation State and Solvation on the pH Dependent Optical Properties of Bromocresol Green
N Arul Murugan, Sigurd Schrader, Hans Ågren
Physical Chemistry Chemical Physics : PCCP
|
July 26, 2018
Unusual binding-site-specific photophysical properties of a benzothiazole-based optical probe in amyloid beta fibrils
N Arul Murugan, Robert Zaleśny, Hans Ågren
Journal of Chemical Theory and Computation
|
December 4, 2015
Heisenberg Exchange in Dinuclear Manganese Complexes: A Density Functional Theory Study
Elias Rudberg, Paweł Sałek, Zilvinas Rinkevicius, et al.
Page
of 35