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Rahul Naga, Sayan Poddar, Arghyadeep Bhattacharjee, Parimal Kar, Avishek Bose, Venkata Satish Kumar Mattaparthi, Oindrilla Mukherjee & Sougata Saha. (2023) Structural analysis of human ATE1 isoforms and their interactions with Arg-tRNAArg. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-20.
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Jiajie Xiao & Freddie R. Salsbury. (2017) Molecular dynamics simulations of aptamer-binding reveal generalized allostery in thrombin. Journal of Biomolecular Structure and Dynamics 35:15, pages 3354-3369.
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Ryan Godwin, William Gmeiner & Freddie R. Salsbury$suffix/text()$suffix/text(). (2016) Importance of long-time simulations for rare event sampling in zinc finger proteins. Journal of Biomolecular Structure and Dynamics 34:1, pages 125-134.
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Lacramioara Negureanu & Freddie R. Salsbury$suffix/text()$suffix/text(). (2014) Non-specificity and synergy at the binding site of the carboplatin-induced DNA adduct via molecular dynamics simulations of the MutSα–DNA recognition complex. Journal of Biomolecular Structure and Dynamics 32:6, pages 969-992.
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Lacra Negureanu & Freddie Salsbury$suffix/text()$suffix/text(). (2013) 212 Shifting interfaces: changes in protein–protein and protein–DNA interfaces probed via molecular dynamics. Journal of Biomolecular Structure and Dynamics 31:sup1, pages 138-139.
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Lacramioara Negureanu & Freddie
R. Salsbury$suffix/text()$suffix/text(). (2012) The molecular origin of the MMR-dependent apoptosis pathway from dynamics analysis of MutSα-DNA complexes. Journal of Biomolecular Structure and Dynamics 30:3, pages 347-361.
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Vincenzo Alterio, Emma Langella, Martina Buonanno, Davide Esposito, Alessio Nocentini, Emanuela Berrino, Silvia Bua, Maurizio Polentarutti, Claudiu T. Supuran, Simona Maria Monti & Giuseppina De Simone. (2021) Zeta-carbonic anhydrases show CS2 hydrolase activity: A new metabolic carbon acquisition pathway in diatoms?. Computational and Structural Biotechnology Journal 19, pages 3427-3436.
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Zhi Zhang, Fu-Xiao Duan, Guo-Li Gu & Peng-Fei Yu. (2020) Mutation analysis of related genes in hamartoma polyp tissue of Peutz-Jeghers syndrome. World Journal of Gastroenterology 26:16, pages 1926-1937.
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Miao Yu, Yixin Chen, Zi-Le Wang & Zhirong Liu. (2019) Fluctuation correlations as major determinants of structure- and dynamics-driven allosteric effects. Physical Chemistry Chemical Physics 21:9, pages 5200-5214.
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Fu-Xiao Duan, Guo-Li Gu, Hai-Rui Yang, Peng-Fei Yu & Zhi Zhang. (2018)
Must Peutz-Jeghers syndrome patients have the
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A. Kulandaisamy, Ambuj Srivastava, R. Nagarajan & M. Michael Gromiha. (2018) Dissecting and analyzing key residues in protein-DNA complexes. Journal of Molecular Recognition 31:4, pages e2692.
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Ryan L. Melvin, Jiajie Xiao, Ryan C. Godwin, Kenneth S. Berenhaut & Freddie R. SalsburyJr.Jr.. (2018) Visualizing correlated motion with HDBSCAN clustering. Protein Science 27:1, pages 62-75.
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Huishu Ma, Anbang Li & Kaifu Gao. (2017) Network of Conformational Transitions Revealed by Molecular Dynamics Simulations of the Carbonic Anhydrase II Apo-Enzyme. ACS Omega 2:11, pages 8414-8420.
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Ryan L. Melvin, William G. Thompson, Ryan C. Godwin, William H. Gmeiner & Freddie R. Salsbury. (2017) MutSα's Multi-Domain Allosteric Response to Three DNA Damage Types Revealed by Machine Learning. Frontiers in Physics 5.
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Bharat Lakhani, Kelly M. Thayer, Manju M. Hingorani & David L. Beveridge. (2017) Evolutionary Covariance Combined with Molecular Dynamics Predicts a Framework for Allostery in the MutS DNA Mismatch Repair Protein. The Journal of Physical Chemistry B 121:9, pages 2049-2061.
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Ryan L. Melvin, Ryan C. Godwin, Jiajie Xiao, William G. Thompson, Kenneth S. Berenhaut & Freddie R. SalsburyJr.Jr.. (2016) Uncovering Large-Scale Conformational Change in Molecular Dynamics without Prior Knowledge. Journal of Chemical Theory and Computation 12:12, pages 6130-6146.
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Beibei Wang, Joshua Francis, Monika Sharma, Sean M. Law, Alexander V. Predeus & Michael Feig. (2016) Long-Range Signaling in MutS and MSH Homologs via Switching of Dynamic Communication Pathways. PLOS Computational Biology 12:10, pages e1005159.
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Kaifu Gao, Hongqing He, Minghui Yang & Honggao Yan. (2015)
Molecular Dynamics Simulations of the
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Ryan C. Godwin, Ryan Melvin & Freddie R. SalsburyJr.Jr.. 2016. Computer-Aided Drug Discovery. Computer-Aided Drug Discovery
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Lacramioara Negureanu & Freddie R. SalsburyJrJr. (2013) Destabilization of the MutSα’s protein-protein interface due to binding to the DNA adduct induced by anticancer agent carboplatin via molecular dynamics simulations. Journal of Molecular Modeling 19:11, pages 4969-4989.
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Hua Wan, Jian-ping Hu, Kang-shun Li, Xu-hong Tian & Shan Chang. (2013) Molecular Dynamics Simulations of DNA-Free and DNA-Bound TAL Effectors. PLoS ONE 8:10, pages e76045.
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