Susanta Haldar
Affiliations: | University of Bristol, Bristol, England, United Kingdom |
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Parents
Sign in to add mentor| G. Naresh Patwari | research assistant | 2010 | IIT Bombay |
| Pavel Hobza | grad student | 2010-2015 | Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences |
| Adrian Mulholland | post-doc | 2016-2019 | University of Bristol |
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Publications
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| Haldar S, Zhang Y, Xia Y, et al. (2022) Mechanistic Insights into the Ligand-Induced Unfolding of an RNA G-Quadruplex. Journal of the American Chemical Society |
| O'Hagan MP, Haldar S, Morales JC, et al. (2020) Enhanced sampling molecular dynamics simulations correctly predict the diverse activities of a series of stiff-stilbene G-quadruplex DNA ligands. Chemical Science. 12: 1415-1426 |
| O'Hagan MP, Ramos-Soriano J, Haldar S, et al. (2020) Visible-light photoswitching of ligand binding mode suggests G-quadruplex DNA as a target for photopharmacology. Chemical Communications (Cambridge, England) |
| Jagger BR, Kochanek SE, Haldar S, et al. (2020) Multiscale simulation approaches to modeling drug-protein binding. Current Opinion in Structural Biology. 61: 213-221 |
| O'Hagan M, Haldar S, Duchi M, et al. (2019) A Photoresponsive Stiff-Stilbene Ligand Fuels the Reversible Conformational Unfolding of G-Quadruplex DNA. Angewandte Chemie (International Ed. in English) |
| Miriyala VM, Lo R, Haldar S, et al. (2019) Structure and Properties of Double-Sandwich Complexes at the Graphene Surface: A Theoretical Study The Journal of Physical Chemistry C. 123: 14712-14724 |
| Haldar S, Comitani F, Saladino G, et al. (2018) A Multiscale Simulation Approach to Modelling Drug-Protein Binding Kinetics. Journal of Chemical Theory and Computation |
| Ajani H, Pecina A, Eyrilmez SM, et al. (2017) Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein-Ligand Complexes in Cognate Docking. Acs Omega. 2: 4022-4029 |
| Pecina A, Haldar S, Fanfrlík J, et al. (2017) SQM/COSMO Scoring Function at the DFTB3-D3H4 Level: Unique Identification of Native Protein-Ligand Poses. Journal of Chemical Information and Modeling. 57: 127-132 |
| Hylsová M, Carbain B, Fanfrlík J, et al. (2016) Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines. European Journal of Medicinal Chemistry. 126: 1118-1128 |