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Susanta Haldar

Showing results (1-10 of 14) with videos related to

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Physical Chemistry Chemical Physics : PCCP|September 23, 2015
A comparison of ab initio quantum-mechanical and experimental D0 binding energies of eleven H-bonded and eleven dispersion-bound complexesSusanta Haldar, Ramachandran Gnanasekaran, Pavel Hobza
Current Opinion in Structural Biology|March 1, 2020
Multiscale simulation approaches to modeling drug-protein bindingBenjamin R Jagger, Sarah E Kochanek, Susanta Haldar, et al.
Journal of Chemical Information and Modeling|January 4, 2017
SQM/COSMO Scoring Function at the DFTB3-D3H4 Level: Unique Identification of Native Protein-Ligand PosesAdam Pecina, Susanta Haldar, Jindřich Fanfrlík, et al.
Chemical Science|June 24, 2021
Enhanced sampling molecular dynamics simulations correctly predict the diverse activities of a series of stiff-stilbene G-quadruplex DNA ligandsMichael P O'Hagan, Susanta Haldar, Juan C Morales, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Insights into Stability and Folding of GNRA and UNCG Tetraloops Revealed by Microsecond Molecular Dynamics and Well-Tempered MetadynamicsSusanta Haldar, Petra Kührová, Pavel Banáš, et al.
ACS Omega|July 20, 2018
Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein-Ligand Complexes in Cognate DockingHaresh Ajani, Adam Pecina, Saltuk M Eyrilmez, et al.
Chemical Communications (Cambridge, England)|April 9, 2020
Visible-light photoswitching of ligand binding mode suggests G-quadruplex DNA as a target for photopharmacologyMichael P O'Hagan, Javier Ramos-Soriano, Susanta Haldar, et al.
Journal of Chemical Theory and Computation|September 14, 2018
A Multiscale Simulation Approach to Modeling Drug-Protein Binding KineticsSusanta Haldar, Federico Comitani, Giorgio Saladino, et al.
Angewandte Chemie (International Ed. in English)|January 26, 2019
A Photoresponsive Stiff-Stilbene Ligand Fuels the Reversible Unfolding of G-Quadruplex DNAMichael P O'Hagan, Susanta Haldar, Marta Duchi, et al.
Journal of the American Chemical Society|January 6, 2022
Mechanistic Insights into the Ligand-Induced Unfolding of an RNA G-QuadruplexSusanta Haldar, Yashu Zhang, Ying Xia, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
Physical Chemistry Chemical Physics : PCCP|September 23, 2015
A comparison of ab initio quantum-mechanical and experimental D0 binding energies of eleven H-bonded and eleven dispersion-bound complexesSusanta Haldar, Ramachandran Gnanasekaran, Pavel Hobza
Current Opinion in Structural Biology|March 1, 2020
Multiscale simulation approaches to modeling drug-protein bindingBenjamin R Jagger, Sarah E Kochanek, Susanta Haldar, et al.
Journal of Chemical Information and Modeling|January 4, 2017
SQM/COSMO Scoring Function at the DFTB3-D3H4 Level: Unique Identification of Native Protein-Ligand PosesAdam Pecina, Susanta Haldar, Jindřich Fanfrlík, et al.
Chemical Science|June 24, 2021
Enhanced sampling molecular dynamics simulations correctly predict the diverse activities of a series of stiff-stilbene G-quadruplex DNA ligandsMichael P O'Hagan, Susanta Haldar, Juan C Morales, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Insights into Stability and Folding of GNRA and UNCG Tetraloops Revealed by Microsecond Molecular Dynamics and Well-Tempered MetadynamicsSusanta Haldar, Petra Kührová, Pavel Banáš, et al.
ACS Omega|July 20, 2018
Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein-Ligand Complexes in Cognate DockingHaresh Ajani, Adam Pecina, Saltuk M Eyrilmez, et al.
Chemical Communications (Cambridge, England)|April 9, 2020
Visible-light photoswitching of ligand binding mode suggests G-quadruplex DNA as a target for photopharmacologyMichael P O'Hagan, Javier Ramos-Soriano, Susanta Haldar, et al.
Journal of Chemical Theory and Computation|September 14, 2018
A Multiscale Simulation Approach to Modeling Drug-Protein Binding KineticsSusanta Haldar, Federico Comitani, Giorgio Saladino, et al.
Angewandte Chemie (International Ed. in English)|January 26, 2019
A Photoresponsive Stiff-Stilbene Ligand Fuels the Reversible Unfolding of G-Quadruplex DNAMichael P O'Hagan, Susanta Haldar, Marta Duchi, et al.
Journal of the American Chemical Society|January 6, 2022
Mechanistic Insights into the Ligand-Induced Unfolding of an RNA G-QuadruplexSusanta Haldar, Yashu Zhang, Ying Xia, et al.
Pageof 2