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Journal of Chemical Information and Modeling|March 29, 2023
Structure Determination of Challenging Protein-Peptide Complexes Combining NMR Chemical Shift Data and Molecular Dynamics SimulationsArup Mondal, G V T Swapna, Maria M Lopez, et al.Chemical Communications (Cambridge, England)|March 26, 2019
A two-target responsive reversible ratiometric pH nanoprobe: a white light emitting quantum dot complexSabyasachi Pramanik, Shilaj Roy, Arup Mondal, et al.Journal of the American Chemical Society|November 13, 2019
Sterically Controlled Late-Stage C-H Alkynylation of ArenesArup Mondal, Hao Chen, Lea Flämig, et al.Journal of the American Chemical Society|September 28, 2021
Palladium-Catalyzed Nondirected Late-Stage C-H Deuteration of ArenesMirxan Farizyan, Arup Mondal, Sourjya Mal, et al.Chem|May 1, 2023
Charge-controlled Pd catalysis enables the meta-C-H activation and olefination of arenesArup Mondal, Marina Díaz-Ruiz, Fritz Deufel, et al.Matter|July 25, 2022
CryoFold: determining protein structures and data-guided ensembles from cryo-EM density mapsMrinal Shekhar, Genki Terashi, Chitrak Gupta, et al.Journal of Chemical Theory and Computation|December 1, 2023
When MELD Meets GaMD: Accelerating Biomolecular Landscape ExplorationMarcelo Caparotta, Alberto PerezThe Journal of Physical Chemistry. B|February 28, 2024
Advancing Molecular Dynamics: Toward Standardization, Integration, and Data Accessibility in Structural BiologyMarcelo Caparotta, Alberto PerezBiorxiv : the Preprint Server for Biology|September 10, 2024
AlphaFold2 knows some protein folding principlesLiwei Chang, Alberto PerezAngewandte Chemie (International Ed. in English)|December 21, 2022
Ranking Peptide Binders by Affinity with AlphaFoldLiwei Chang, Alberto PerezPageof 22