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CryoFold: determining protein structures and data-guided ensembles from cryo-EM density maps.
Shekhar M, Terashi G, Gupta C, Sarkar D, Debussche G, Sisco NJ, Nguyen J, Mondal A, Vant J, Fromme P, Van Horn WD, Tajkhorshid E, Kihara D, Dill K, Perez A, Singharoy A. Shekhar M, et al. Among authors: mondal a. Matter. 2021 Oct 6;4(10):3195-3216. doi: 10.1016/j.matt.2021.09.004. Epub 2021 Sep 22. Matter. 2021. PMID: 35874311 Free PMC article.
Towards rational computational peptide design.
Chang L, Mondal A, Perez A. Chang L, et al. Among authors: mondal a. Front Bioinform. 2022 Oct 21;2:1046493. doi: 10.3389/fbinf.2022.1046493. eCollection 2022. Front Bioinform. 2022. PMID: 36338806 Free PMC article.
CryoFold 2.0: Cryo-EM Structure Determination with MELD.
Chang L, Mondal A, MacCallum JL, Perez A. Chang L, et al. Among authors: mondal a. J Phys Chem A. 2023 May 4;127(17):3906-3913. doi: 10.1021/acs.jpca.3c01731. Epub 2023 Apr 21. J Phys Chem A. 2023. PMID: 37084537
Sifting Through the Noise: A Computational Pipeline for Accurate Prioritization of Protein-Protein Binding Candidates in High-Throughput Protein Libraries.
Mondal A, Singh B, Felkner RH, De Falco A, Swapna G, Montelione GT, Roth MJ, Perez A. Mondal A, et al. bioRxiv [Preprint]. 2024 Jan 23:2024.01.20.576374. doi: 10.1101/2024.01.20.576374. bioRxiv. 2024. Update in: Angew Chem Int Ed Engl. 2024 Jun 10;63(24):e202405767. doi: 10.1002/anie.202405767 PMID: 38328039 Free PMC article. Updated. Preprint.
1,519 results