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Physical Chemistry Chemical Physics : PCCP
|
November 29, 2016
Thermodynamics of DNA: sensitizer recognition. Characterizing binding motifs with all-atom simulations
Hugo Gattuso, Elise Dumont, Christophe Chipot, et al.
The Journal of Physical Chemistry. B
|
June 27, 2025
The String Method with Swarms of Trajectories: A Tutorial for Free-Energy Calculations Along a Zero-Drift Pathway
Chenyu Tang, Haochuan Chen, Emad Tajkhorshid, et al.
Journal of Chemical Theory and Computation
|
January 25, 2019
Addressing Polarization Phenomena in Molecular Machines Containing Transition Metal Ions with an Additive Force Field
Shuangli Du, Haohao Fu, Xueguang Shao, et al.
Journal of the American Chemical Society
|
March 2, 2016
Molecular Mechanism of Processive 3' to 5' RNA Translocation in the Active Subunit of the RNA Exosome Complex
Lela Vuković, Christophe Chipot, Debora L Makino, et al.
Nucleic Acids Research
|
November 24, 2011
Recognition of methylated DNA through methyl-CpG binding domain proteins
Xueqing Zou, Wen Ma, Ilia A Solov'yov, et al.
Journal of Chemical Theory and Computation
|
May 17, 2023
Improving Speed and Affordability without Compromising Accuracy: Standard Binding Free-Energy Calculations Using an Enhanced Sampling Algorithm, Multiple-Time Stepping, and Hydrogen Mass Repartitioning
Marharyta Blazhynska, Emma Goulard Coderc de Lacam, Haochuan Chen, et al.
Journal of Medicinal Chemistry
|
January 5, 2002
Rational determination of transfer free energies of small drugs across the water-oil interface
Delphine Bas, Delphine Dorison-Duval, Stéphanie Moreau, et al.
Journal of Chemical Theory and Computation
|
February 6, 2019
Enthalpy-Entropy Interplay in π-Stacking Interaction of Benzene Dimer in Water
Hankyul Lee, François Dehez, Christophe Chipot, et al.
Nature Communications
|
May 15, 2025
Structural dynamics and permeability of the TRPV3 pentamer
Shifra Lansky, Zhaokun Wang, Oliver B Clarke, et al.
The Journal of Physical Chemistry Letters
|
August 4, 2018
Zooming across the Free-Energy Landscape: Shaving Barriers, and Flooding Valleys
Haohao Fu, Hong Zhang, Haochuan Chen, et al.
Page
of 20
Search research articles
Search
Showing results (101-110 of 191) with videos related to
Sort By:
Page
of 20
Physical Chemistry Chemical Physics : PCCP
|
November 29, 2016
Thermodynamics of DNA: sensitizer recognition. Characterizing binding motifs with all-atom simulations
Hugo Gattuso, Elise Dumont, Christophe Chipot, et al.
The Journal of Physical Chemistry. B
|
June 27, 2025
The String Method with Swarms of Trajectories: A Tutorial for Free-Energy Calculations Along a Zero-Drift Pathway
Chenyu Tang, Haochuan Chen, Emad Tajkhorshid, et al.
Journal of Chemical Theory and Computation
|
January 25, 2019
Addressing Polarization Phenomena in Molecular Machines Containing Transition Metal Ions with an Additive Force Field
Shuangli Du, Haohao Fu, Xueguang Shao, et al.
Journal of the American Chemical Society
|
March 2, 2016
Molecular Mechanism of Processive 3' to 5' RNA Translocation in the Active Subunit of the RNA Exosome Complex
Lela Vuković, Christophe Chipot, Debora L Makino, et al.
Nucleic Acids Research
|
November 24, 2011
Recognition of methylated DNA through methyl-CpG binding domain proteins
Xueqing Zou, Wen Ma, Ilia A Solov'yov, et al.
Journal of Chemical Theory and Computation
|
May 17, 2023
Improving Speed and Affordability without Compromising Accuracy: Standard Binding Free-Energy Calculations Using an Enhanced Sampling Algorithm, Multiple-Time Stepping, and Hydrogen Mass Repartitioning
Marharyta Blazhynska, Emma Goulard Coderc de Lacam, Haochuan Chen, et al.
Journal of Medicinal Chemistry
|
January 5, 2002
Rational determination of transfer free energies of small drugs across the water-oil interface
Delphine Bas, Delphine Dorison-Duval, Stéphanie Moreau, et al.
Journal of Chemical Theory and Computation
|
February 6, 2019
Enthalpy-Entropy Interplay in π-Stacking Interaction of Benzene Dimer in Water
Hankyul Lee, François Dehez, Christophe Chipot, et al.
Nature Communications
|
May 15, 2025
Structural dynamics and permeability of the TRPV3 pentamer
Shifra Lansky, Zhaokun Wang, Oliver B Clarke, et al.
The Journal of Physical Chemistry Letters
|
August 4, 2018
Zooming across the Free-Energy Landscape: Shaving Barriers, and Flooding Valleys
Haohao Fu, Hong Zhang, Haochuan Chen, et al.
Page
of 20