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Journal of Chemical Theory and Computation
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May 4, 2026
Free-Energy Landscapes of HBV Hexamer Closure Reveal Key Structural Features of the Transition
Zixing Fan, Anna Pavlova, Diane L Lynch, et al.
The Journal of Physical Chemistry Letters
|
June 30, 2022
Hazardous Shortcuts in Standard Binding Free Energy Calculations
Marharyta Blazhynska, Emma Goulard Coderc de Lacam, Haochuan Chen, et al.
The Journal of Physical Chemistry. B
|
September 24, 2014
The adaptive biasing force method: everything you always wanted to know but were afraid to ask
Jeffrey Comer, James C Gumbart, Jérôme Hénin, et al.
Journal of Chemical Theory and Computation
|
September 10, 2025
Development of Coarse-Grained Lipid Force Fields Based on a Graph Neural Network
Zhenyu Liao, Ting Si, Tairan Wang, et al.
The Journal of Physical Chemistry. B
|
July 5, 2022
Computational Assessment of Protein-Protein Binding Specificity within a Family of Synaptic Surface Receptors
Prithviraj Nandigrami, Florence Szczepaniak, Christopher T Boughter, et al.
Journal of Computational Chemistry
|
April 30, 2003
OPEP: a tool for the optimal partitioning of electric properties
János G Angyán, Christophe Chipot, François Dehez, et al.
Journal of the American Chemical Society
|
July 28, 2011
Oligomerization state of photosynthetic core complexes is correlated with the dimerization affinity of a transmembrane helix
Jen Hsin, Loren M LaPointe, Alla Kazy, et al.
Journal of Chemical Information and Modeling
|
February 7, 2018
BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations
Haohao Fu, James C Gumbart, Haochuan Chen, et al.
Journal of Chemical Theory and Computation
|
September 28, 2011
Polarizable intermolecular potentials for water and benzene interacting with halide and metal ions
Fabien Archambault, Christophe Chipot, Ignacio Soteras, et al.
Biophysical Journal
|
October 24, 2017
Mitochondrial ADP/ATP Carrier in Dodecylphosphocholine Binds Cardiolipins with Non-native Affinity
François Dehez, Paul Schanda, Martin S King, et al.
Page
of 20
Search research articles
Search
Showing results (121-130 of 191) with videos related to
Sort By:
Page
of 20
Journal of Chemical Theory and Computation
|
May 4, 2026
Free-Energy Landscapes of HBV Hexamer Closure Reveal Key Structural Features of the Transition
Zixing Fan, Anna Pavlova, Diane L Lynch, et al.
The Journal of Physical Chemistry Letters
|
June 30, 2022
Hazardous Shortcuts in Standard Binding Free Energy Calculations
Marharyta Blazhynska, Emma Goulard Coderc de Lacam, Haochuan Chen, et al.
The Journal of Physical Chemistry. B
|
September 24, 2014
The adaptive biasing force method: everything you always wanted to know but were afraid to ask
Jeffrey Comer, James C Gumbart, Jérôme Hénin, et al.
Journal of Chemical Theory and Computation
|
September 10, 2025
Development of Coarse-Grained Lipid Force Fields Based on a Graph Neural Network
Zhenyu Liao, Ting Si, Tairan Wang, et al.
The Journal of Physical Chemistry. B
|
July 5, 2022
Computational Assessment of Protein-Protein Binding Specificity within a Family of Synaptic Surface Receptors
Prithviraj Nandigrami, Florence Szczepaniak, Christopher T Boughter, et al.
Journal of Computational Chemistry
|
April 30, 2003
OPEP: a tool for the optimal partitioning of electric properties
János G Angyán, Christophe Chipot, François Dehez, et al.
Journal of the American Chemical Society
|
July 28, 2011
Oligomerization state of photosynthetic core complexes is correlated with the dimerization affinity of a transmembrane helix
Jen Hsin, Loren M LaPointe, Alla Kazy, et al.
Journal of Chemical Information and Modeling
|
February 7, 2018
BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations
Haohao Fu, James C Gumbart, Haochuan Chen, et al.
Journal of Chemical Theory and Computation
|
September 28, 2011
Polarizable intermolecular potentials for water and benzene interacting with halide and metal ions
Fabien Archambault, Christophe Chipot, Ignacio Soteras, et al.
Biophysical Journal
|
October 24, 2017
Mitochondrial ADP/ATP Carrier in Dodecylphosphocholine Binds Cardiolipins with Non-native Affinity
François Dehez, Paul Schanda, Martin S King, et al.
Page
of 20