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Susanta Haldar · SciRah

Researcher profile · Semantic Scholar

Susanta Haldar

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Susanta Haldar — researcher profile on SciRah

h-index: 13
Works: 23
Citations: 466

Most-cited papers

A Photoresponsive Stiff‐Stilbene Ligand Fuels the Reversible Unfolding of G‐Quadruplex DNA
Michael P. O'Hagan, Susanta Haldar, M. Duchi, T. A. A. Oliver +3 more
2019Angewandte Chemie61 citations Open access
Semantic Scholar
Insights into Stability and Folding of GNRA and UNCG Tetraloops Revealed by Microsecond Molecular Dynamics and Well-Tempered Metadynamics.
Susanta Haldar, Petra Kührová, P. Banáš, V. Spiwok +3 more
2015Journal of Chemical Theory and Computation58 citations
Semantic Scholar
The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition.
J. Fanfrlík, F. Ruiz, Aneta Kadlčíková, J. Řezáč +8 more
2015ACS Chemical Biology46 citations
Semantic Scholar
Mechanistic Insights into the Ligand-Induced Unfolding of an RNA G-Quadruplex.
Susanta Haldar, Ya-Shuo Zhang, Ying Xia, Barira Islam +6 more
2022Journal of the American Chemical Society43 citations Open access
Semantic Scholar
SQM/COSMO Scoring Function at the DFTB3-D3H4 Level: Unique Identification of Native Protein-Ligand Poses
Adam Pecina, Susanta Haldar, J. Fanfrlík, R. Meier +3 more
2017Journal of Chemical Information and Modeling36 citations
Semantic Scholar
Multiscale simulation approaches to modeling drug-protein binding.
Benjamin R. Jagger, S. Kochanek, Susanta Haldar, R. Amaro +1 more
2020Current Opinion in Structural Biology33 citations
Semantic Scholar
Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines.
Michaela Hylsová, B. Carbain, J. Fanfrlík, L. Musilová +10 more
2017European journal of medicinal chemistry32 citations Open access
Semantic Scholar
A Multiscale Simulation Approach to Modeling Drug-Protein Binding Kinetics.
Susanta Haldar, Federico Comitani, G. Saladino, Christopher J. Woods +3 more
2018Journal of Chemical Theory and Computation31 citations Open access
Semantic Scholar
Adsorption of Organic Electron Acceptors on Graphene-like Molecules: Quantum Chemical and Molecular Mechanical Study
Susanta Haldar, M. Kolář, R. Sedlak, P. Hobza
201225 citations
Semantic Scholar
Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking
H. Ajani, Adam Pecina, S. M. Eyrilmez, J. Fanfrlík +4 more
2017ACS Omega22 citations Open access
Semantic Scholar
Visible-light photoswitching of ligand binding mode suggests G-quadruplex DNA as a target for photopharmacology.
Michael P. O'Hagan, Javier Ramos-Soriano, Susanta Haldar, Sadiyah Sheikh +3 more
2020Chemical Communications20 citations Open access
Semantic Scholar
Enhanced sampling molecular dynamics simulations correctly predict the diverse activities of a series of stiff-stilbene G-quadruplex DNA ligands
Michael P. O'Hagan, Susanta Haldar, J. Morales, Adrian J. Mulholland +1 more
2020Chemical Science19 citations Open access
Semantic Scholar
A comparison of ab initio quantum-mechanical and experimental D0 binding energies of eleven H-bonded and eleven dispersion-bound complexes.
Susanta Haldar, Ramachandran Gnanasekaran, P. Hobza
2015Physical Chemistry, Chemical Physics - PCCP18 citations
Semantic Scholar
On the Association of the Base Pairs on the Silica Surface Based on Free Energy Biased Molecular Dynamics Simulation and Quantum Mechanical Calculations
Susanta Haldar, V. Spiwok, P. Hobza
20139 citations
Semantic Scholar
Bridged Azobenzene Exhibits Fully Reversible Photocontrolled Binding to a G‑Quadruplex DNA/Duplex Junction
Javier Ramos-Soriano, Y. J. Jiang, Bowen Deng, Michael P. O'Hagan +6 more
2025JACS Au7 citations Open access
Semantic Scholar
Structure and Properties of Double-Sandwich Complexes at the Graphene Surface: A Theoretical Study
V. M. Miriyala, Rabindranath Lo, Susanta Haldar, A. Sarmah +1 more
2019Journal of Physical Chemistry C4 citations
Semantic Scholar
Ligand-induced unfolding mechanism of an RNA G-quadruplex
Susanta Haldar, Ya-Shuo Zhang, Ying Xia, Barira Islam +6 more
2021bioRxiv1 citations Open access
Semantic Scholar
Visible-Light Photoswitching of G-Quadruplex Ligand Binding Mode Allows Reversible Control of G-Tetrad Structure
Michael P. O'Hagan, Javier Ramos Soriano, Susanta Haldar, J. C. Morales +2 more
20201 citations Open access
Semantic Scholar
Discovery of 2H-Pyrrolo[3,4‑c]pyridin-3-one Derivatives as Type-III c‑MET Inhibitors Enabled by Free-Energy Perturbation Calculations.
E. Therrien, Shulu Feng, Katherine Amberg-Johnson, N. Shaikh +11 more
2026ACS Medicinal Chemistry Letters0 citations Open access
Semantic Scholar
Biocompatible visible-light photoswitching of ligand binding mode indicates G-quadruplex DNA as a target for photopharmacology
Michael P. O'Hagan, F. J. Soriano, Susanta Haldar, Sadiyah Sheikh +3 more
20200 citations
Semantic Scholar
Theoretical Study of Non-covalent Interaction from small molecules to Biomolecules
Susanta Haldar
20150 citations
Semantic Scholar
SINGLE DOSE IV DEXAMETHASONE REDUCES POSTOPERATIVE MORBIDITY FOLLOWING CLEFT PALATE SURGERY
Dipasri Bhattacharya, Paramita Pandit, Soumi Das, Sankar Roy +3 more
20120 citations
Semantic Scholar
A bridged azobenzene derivative exhibits fully-reversible photocontrolled binding to a G-quadruplex DNA/duplex junction
Javier Ramos-Soriano, Y. J. Jiang, Bowen Deng, Michael P. O'Hagan +5 more
0 citations
Semantic Scholar

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