Advertisement

Browse Subject Areas

?

Click through the PLOS taxonomy to find articles in your field.

For more information about PLOS Subject Areas, click here.

Biochemical simulations

Molecular Basis of Bcl-X_L-p53 Interaction: Insights from Molecular Dynamics Simulations

Nagakumar Bharatham, Seung-Wook Chi, Ho Sup Yoon

A New Concept to Reveal Protein Dynamics Based on Energy Dissipation

Cheng-Wei Ma, Zhi-Long Xiu, An-Ping Zeng

Elucidation of the Glucose Transport Pathway in Glucose Transporter 4 via Steered Molecular Dynamics Simulations

Aswathy Sheena, Suma S. Mohan, Nidhina Pachakkil A. Haridas, Gopalakrishnapillai Anilkumar

Promiscuous Binding in a Selective Protein: The Bacterial Na⁺/H⁺ Antiporter

Raphael Alhadeff, Assaf Ganoth, Miriam Krugliak, Isaiah T. Arkin

Insights into the Complex Formed by Matrix Metalloproteinase-2 and Alloxan Inhibitors: Molecular Dynamics Simulations and Free Energy Calculations

Ilenia Giangreco, Gianluca Lattanzi, [ ... ], Angelo Carotti

Catalytic Mechanism Investigation of Lysine-Specific Demethylase 1 (LSD1): A Computational Study

Xiangqian Kong, Sisheng Ouyang, [ ... ], Hualiang Jiang

Effects of Single Nucleotide Polymorphisms on Human N-Acetyltransferase 2 Structure and Dynamics by Molecular Dynamics Simulation

M. Rajasekaran, Santhanam Abirami, Chinpan Chen

First-Step Mutations for Adaptation at Elevated Temperature Increase Capsid Stability in a Virus

Kuo Hao Lee, Craig R. Miller, [ ... ], F. Marty Ytreberg

Substrate Binding Process and Mechanistic Functioning of Type 1 11β-Hydroxysteroid Dehydrogenase from Enhanced Sampling Methods

Angelo D. Favia, Matteo Masetti, Maurizio Recanatini, Andrea Cavalli

Accounting for Diffusion in Agent Based Models of Reaction-Diffusion Systems with Application to Cytoskeletal Diffusion

Mohammad Azimi, Yousef Jamali, Mohammad R. K. Mofrad

Structure and Behavior of Human α-Thrombin upon Ligand Recognition: Thermodynamic and Molecular Dynamics Studies

Vivian de Almeira Silva, Maria Thereza Cargnelutti, [ ... ], Luis Mauricio T. R. Lima

Modulation of Catalytic Activity in Multi-Domain Protein Tyrosine Phosphatases

Lalima L. Madan, S. Veeranna, [ ... ], B. Gopal

Molecular Dynamics of Mesophilic-Like Mutants of a Cold-Adapted Enzyme: Insights into Distal Effects Induced by the Mutations

Elena Papaleo, Marco Pasi, Matteo Tiberti, Luca De Gioia

Advertisement

Create a weekly email alert for: Biochemical simulations

You can change these options by clicking profile then "Alerts and Notifications"