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Biochemical simulations

Molecular Modeling Study for Inhibition Mechanism of Human Chymase and Its Application in Inhibitor Design

Mahreen Arooj, Songmi Kim, [ ... ], Keun Woo Lee

p.Arg82Leu von Hippel-Lindau (VHL) Gene Mutation among Three Members of a Family with Familial Bilateral Pheochromocytoma in India: Molecular Analysis and In Silico Characterization

Anulekha Mary John, George Priya Doss C, [ ... ], Rekha Pai

An Intrinsically Disordered Region of the Adenovirus Capsid Is Implicated in Neutralization by Human Alpha Defensin 5

Justin W. Flatt, Robert Kim, [ ... ], Phoebe L. Stewart

Dual Action of BPC194: A Membrane Active Peptide Killing Bacterial Cells

Gemma Moiset, Anna D. Cirac, [ ... ], Bert Poolman

A Comprehensive, Multi-Scale Dynamical Model of ErbB Receptor Signal Transduction in Human Mammary Epithelial Cells

Tomáš Helikar, Naomi Kochi, [ ... ], Jim A. Rogers

Optimization of an Elastic Network Augmented Coarse Grained Model to Study CCMV Capsid Deformation

Christoph Globisch, Venkatramanan Krishnamani, Markus Deserno, Christine Peter

Understanding the Folding-Function Tradeoff in Proteins

Shachi Gosavi

Transcription Fluctuation Effects on Biochemical Oscillations

Ryota Nishino, Takahiro Sakaue, Hiizu Nakanishi

Electric Field-Driven Water Dipoles: Nanoscale Architecture of Electroporation

Mayya Tokman, Jane HyoJin Lee, [ ... ], P. Thomas Vernier

Reconciling Mediating and Slaving Roles of Water in Protein Conformational Dynamics

Li Zhao, Wenzhao Li, Pu Tian

Plasticity of 150-Loop in Influenza Neuraminidase Explored by Hamiltonian Replica Exchange Molecular Dynamics Simulations

Nanyu Han, Yuguang Mu

An Asymmetric Post-Hydrolysis State of the ABC Transporter ATPase Dimer

Anthony M. George, Peter M. Jones

The Gating Mechanism of the Human Aquaporin 5 Revealed by Molecular Dynamics Simulations

Lorant Janosi, Matteo Ceccarelli

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