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Physical Chemistry Chemical Physics : PCCP
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November 3, 2015
Proton transport mechanism of imidazole, triazole and phosphoric acid mixtures from ab initio molecular dynamics simulations
Swagata Pahari, Sudip Roy
The Journal of Chemical Physics
|
October 29, 2013
Evidence and characterization of dynamic heterogeneity in binary mixtures of phosphoric acid and benzimidazole
Swagata Pahari, Sudip Roy
Database : the Journal of Biological Databases and Curation
|
February 27, 2019
PKAD: a database of experimentally measured pKa values of ionizable groups in proteins
Swagata Pahari, Lexuan Sun, Emil Alexov
Journal of Molecular Modeling
|
July 24, 2012
Characterization of the structures and dynamics of phosphoric acid doped benzimidazole mixtures: a molecular dynamics study
Minal More, Swagata Pahari, Sudip Roy, et al.
Proteins
|
September 26, 2018
DelPhiPKa: Including salt in the calculations and enabling polar residues to titrate
Swagata Pahari, Lexuan Sun, Sankar Basu, et al.
Journal of Chemical Information and Modeling
|
March 11, 2020
Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi
Arghya Chakravorty, Shailesh Panday, Swagata Pahari, et al.
The Journal of Physical Chemistry. B
|
June 2, 2012
Molecular dynamics simulation of phosphoric acid doped monomer of polybenzimidazole: a potential component polymer electrolyte membrane of fuel cell
Swagata Pahari, Chandan Kumar Choudhury, Prithvi Raj Pandey, et al.
International Journal of Molecular Sciences
|
April 11, 2020
SAAMBE-3D: Predicting Effect of Mutations on Protein-Protein Interactions
Swagata Pahari, Gen Li, Adithya Krishna Murthy, et al.
Bioinformatics (Oxford, England)
|
September 1, 2020
SAAMBE-SEQ: a sequence-based method for predicting mutation effect on protein-protein binding affinity
Gen Li, Swagata Pahari, Adithya Krishna Murthy, et al.
Journal of Computational Chemistry
|
June 26, 2019
DelPhi Suite: New Developments and Review of Functionalities
Chuan Li, Zhe Jia, Arghya Chakravorty, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
November 3, 2015
Proton transport mechanism of imidazole, triazole and phosphoric acid mixtures from ab initio molecular dynamics simulations
Swagata Pahari, Sudip Roy
The Journal of Chemical Physics
|
October 29, 2013
Evidence and characterization of dynamic heterogeneity in binary mixtures of phosphoric acid and benzimidazole
Swagata Pahari, Sudip Roy
Database : the Journal of Biological Databases and Curation
|
February 27, 2019
PKAD: a database of experimentally measured pKa values of ionizable groups in proteins
Swagata Pahari, Lexuan Sun, Emil Alexov
Journal of Molecular Modeling
|
July 24, 2012
Characterization of the structures and dynamics of phosphoric acid doped benzimidazole mixtures: a molecular dynamics study
Minal More, Swagata Pahari, Sudip Roy, et al.
Proteins
|
September 26, 2018
DelPhiPKa: Including salt in the calculations and enabling polar residues to titrate
Swagata Pahari, Lexuan Sun, Sankar Basu, et al.
Journal of Chemical Information and Modeling
|
March 11, 2020
Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi
Arghya Chakravorty, Shailesh Panday, Swagata Pahari, et al.
The Journal of Physical Chemistry. B
|
June 2, 2012
Molecular dynamics simulation of phosphoric acid doped monomer of polybenzimidazole: a potential component polymer electrolyte membrane of fuel cell
Swagata Pahari, Chandan Kumar Choudhury, Prithvi Raj Pandey, et al.
International Journal of Molecular Sciences
|
April 11, 2020
SAAMBE-3D: Predicting Effect of Mutations on Protein-Protein Interactions
Swagata Pahari, Gen Li, Adithya Krishna Murthy, et al.
Bioinformatics (Oxford, England)
|
September 1, 2020
SAAMBE-SEQ: a sequence-based method for predicting mutation effect on protein-protein binding affinity
Gen Li, Swagata Pahari, Adithya Krishna Murthy, et al.
Journal of Computational Chemistry
|
June 26, 2019
DelPhi Suite: New Developments and Review of Functionalities
Chuan Li, Zhe Jia, Arghya Chakravorty, et al.
Page
of 2