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

Microsecond Molecular Dynamics Simulations of Intrinsically Disordered Proteins Involved in the Oxidative Stress Response

Elio A. Cino, Jirasak Wong-ekkabut, Mikko Karttunen, Wing-Yiu Choy

Evaluating the Effects of Cutoffs and Treatment of Long-range Electrostatics in Protein Folding Simulations

Stefano Piana, Kresten Lindorff-Larsen, [ ... ], David E. Shaw

Structure and Function of p53-DNA Complexes with Inactivation and Rescue Mutations: A Molecular Dynamics Simulation Study

Balu Kamaraj, Annemie Bogaerts

Anticancer Compound Plumbagin and Its Molecular Targets: A Structural Insight into the Inhibitory Mechanisms Using Computational Approaches

Mohammad S. Jamal, Shadma Parveen, [ ... ], Mohd Rehan

Recognition of 5-Hydroxymethylcytosine by the Uhrf1 SRA Domain

Carina Frauer, Thomas Hoffmann, [ ... ], Heinrich Leonhardt

Molecular Dynamics of Channelrhodopsin at the Early Stages of Channel Opening

Mizuki Takemoto, Hideaki E. Kato, [ ... ], Osamu Nureki

Coval: Improving Alignment Quality and Variant Calling Accuracy for Next-Generation Sequencing Data

Shunichi Kosugi, Satoshi Natsume, [ ... ], Ryohei Terauchi

Eugene – A Domain Specific Language for Specifying and Constraining Synthetic Biological Parts, Devices, and Systems

Lesia Bilitchenko, Adam Liu, [ ... ], Douglas Densmore

Metal based donepezil analogues designed to inhibit human acetylcholinesterase for Alzheimer’s disease

Md. Junaid, Nazrul Islam, [ ... ], Mohammad A. Halim

ReaDDy - A Software for Particle-Based Reaction-Diffusion Dynamics in Crowded Cellular Environments

Johannes Schöneberg, Frank Noé

Integrating Intracellular Dynamics Using CompuCell3D and Bionetsolver: Applications to Multiscale Modelling of Cancer Cell Growth and Invasion

Vivi Andasari, Ryan T. Roper, Maciej H. Swat, Mark A. J. Chaplain

Mapping the Structural and Dynamical Features of Multiple p53 DNA Binding Domains: Insights into Loop 1 Intrinsic Dynamics

Suryani Lukman, David P. Lane, Chandra S. Verma

Identification of potential human pancreatic α-amylase inhibitors from natural products by molecular docking, MM/GBSA calculations, MD simulations, and ADMET analysis

Santosh Basnet, Madhav Prasad Ghimire, [ ... ], Achyut Adhikari

Advertisement

Create a weekly email alert for: Biochemical simulations

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