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Biophysical simulations

Cell death as a trigger for morphogenesis

Boris Aguilar, Ahmadreza Ghaffarizadeh, [ ... ], Nicholas S. Flann

Distinguishing cell shoving mechanisms

Pingyu Nan, Darragh M. Walsh, Kerry A. Landman, Barry D. Hughes

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

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