Advertisement

Browse Subject Areas

?

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

For more information about PLOS Subject Areas, click here.

Biophysical simulations

Ligand field molecular dynamics simulation of Pt(II)-phenanthroline binding to N-terminal fragment of amyloid-β peptide

Matthew Turner, Shaun T. Mutter, Robert J. Deeth, James A. Platts

Computer simulations reveal changes in the conformational space of the transcriptional regulator MosR upon the formation of a disulphide bond and in the collective motions that regulate its DNA-binding affinity

Amanda Souza Câmara, Eduardo Horjales

Maintenance of muscle strength retains a normal metabolic cost in simulated walking after transtibial limb loss

Elizabeth Russell Esposito, Ross H. Miller

Empirical analysis of vegetation dynamics and the possibility of a catastrophic desertification transition

Haim Weissmann, Rafi Kent, Yaron Michael, Nadav M. Shnerb

Structural analysis of human glycoprotein butyrylcholinesterase using atomistic molecular dynamics: The importance of glycosylation site ASN₂₄₁

Austen Bernardi, Karl N. Kirschner, Roland Faller

The role of environment, dispersal and competition in explaining reduced co-occurrence among related species

Ben G. Weinstein, Catherine H. Graham, Juan Luis Parra

Effects of forcefield and sampling method in all-atom simulations of inherently disordered proteins: Application to conformational preferences of human amylin

Enxi Peng, Nevena Todorova, Irene Yarovsky

Normal mode-guided transition pathway generation in proteins

Byung Ho Lee, Sangjae Seo, [ ... ], Moon Ki Kim

Spontaneous non-canonical assembly of CcmK hexameric components from β-carboxysome shells of cyanobacteria

Luis F. Garcia-Alles, Eric Lesniewska, [ ... ], Gilles Truan

Quality improvement of surface triangular mesh using a modified Laplacian smoothing approach avoiding intersection

Tiantian Liu, Minxin Chen, [ ... ], Benzhuo Lu

Computational and experimental analysis of short peptide motifs for enzyme inhibition

Jinglin Fu, Luca Larini, [ ... ], Ting Zhang

Modeling and simulation of biological systems using SPICE language

Morgan Madec, Christophe Lallement, Jacques Haiech

Covalent dye attachment influences the dynamics and conformational properties of flexible peptides

Manuel P. Luitz, Anders Barth, [ ... ], Martin Zacharias

Advertisement

Create a weekly email alert for: Biophysical simulations

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