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Journal of Biomolecular Structure and Dynamics Volume 32, 2014 - Issue 6
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Articles

Non-specificity and synergy at the binding site of the carboplatin-induced DNA adduct via molecular dynamics simulations of the MutSα–DNA recognition complex

Lacramioara NegureanuDepartment of Physics, Wake Forest University, Winston Salem, NC, 27106, USA.
&
Freddie R. Salsbury JrDepartment of Physics, Wake Forest University, Winston Salem, NC, 27106, USA.Correspondence[email protected]
Pages 969-992 | Received 19 Mar 2013, Accepted 23 Apr 2013, Published online: 25 Jun 2013

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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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Qian Mi, Yuru Ma, Xiangqian Gao, Ran Liu, Pengxing Liu, Yi Mi, Xuegang Fu & Qingzhi Gao. (2016) 2-Deoxyglucose conjugated platinum (II) complexes for targeted therapy: design, synthesis, and antitumor activity. Journal of Biomolecular Structure and Dynamics 34:11, pages 2339-2350.
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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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Articles from other publishers (11)

Zahra Khatti, Seyed Majid Hashemianzadeh & Seyed Ali Shafiei. (2018) A Molecular Study on Drug Delivery System Based on Carbon Nanotube Compared to Silicon Carbide Nanotube for Encapsulation of Platinum-Based Anticancer Drug. Advanced Pharmaceutical Bulletin 8:1, pages 163-167.
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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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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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Cheng Tan, Tsuyoshi Terakawa & Shoji Takada. (2016) Dynamic Coupling among Protein Binding, Sliding, and DNA Bending Revealed by Molecular Dynamics. Journal of the American Chemical Society 138:27, pages 8512-8522.
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Zahra Khatti & Seyed Majid Hashemianzadeh. (2016) Boron nitride nanotube as a delivery system for platinum drugs: Drug encapsulation and diffusion coefficient prediction. European Journal of Pharmaceutical Sciences 88, pages 291-297.
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Zahra Khatti & Seyed Majid Hashemianzadeh. (2015) Investigation of thermodynamic and structural properties of drug delivery system based on carbon nanotubes as a carboplatin drug carrier by molecular dynamics simulations. Journal of Inclusion Phenomena and Macrocyclic Chemistry 83:1-2, pages 131-140.
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Ryan C. Godwin, Ryan Melvin & Freddie R. SalsburyJr.Jr.. 2016. Computer-Aided Drug Discovery. Computer-Aided Drug Discovery 1 30 .
Trung Hai Nguyen, Giulia Rossetti, Fabio Arnesano, Emiliano Ippoliti, Giovanni Natile & Paolo Carloni. (2014) Molecular Recognition of Platinated DNA from Chromosomal HMGB1. Journal of Chemical Theory and Computation 10:8, pages 3578-3584.
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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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