Advertisement

Browse Subject Areas

?

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

For more information about PLOS Subject Areas, click here.

Molecular dynamics

Multiple Routes and Milestones in the Folding of HIV–1 Protease Monomer

Massimiliano Bonomi, Alessandro Barducci, Francesco L. Gervasio, Michele Parrinello

published 13 Oct 2010

Loading metrics information...

Metrics unavailable. Please check back later.

Insights on Glucocorticoid Receptor Activity Modulation through the Binding of Rigid Steroids

Diego M. Presman, Lautaro D. Alvarez, Valeria Levi, Silvina Eduardo, Michelle A. Digman, Marcelo A. Martí, Adriana S. Veleiro, Gerardo Burton, Adali Pecci

published 11 Oct 2010

Loading metrics information...

Metrics unavailable. Please check back later.

An Improved Strategy for Generating Forces in Steered Molecular Dynamics: The Mechanical Unfolding of Titin, e2lip3 and Ubiquitin

Bosco K. Ho, David A. Agard

published 29 Sep 2010

Loading metrics information...

Metrics unavailable. Please check back later.

SH3 Domain-Peptide Binding Energy Calculations Based on Structural Ensemble and Multiple Peptide Templates

Seungpyo Hong, Taesu Chung, Dongsup Kim

published 15 Sep 2010

Loading metrics information...

Metrics unavailable. Please check back later.

Molecular Modeling Study for Interaction between Bacillus subtilis Obg and Nucleotides

Yuno Lee, Woo Young Bang, Songmi Kim, Prettina Lazar, Chul Wook Kim, Jeong Dong Bahk, Keun Woo Lee

published 07 Sep 2010

Loading metrics information...

Metrics unavailable. Please check back later.

Insights in 17β-HSD1 Enzyme Kinetics and Ligand Binding by Dynamic Motion Investigation

Matthias Negri, Maurizio Recanatini, Rolf W. Hartmann

published 10 Aug 2010

Loading metrics information...

Metrics unavailable. Please check back later.

A Didactic Model of Macromolecular Crowding Effects on Protein Folding

Douglas Tsao, Allen P. Minton, Nikolay V. Dokholyan

published 03 Aug 2010

Loading metrics information...

Metrics unavailable. Please check back later.

A Comparative Approach Linking Molecular Dynamics of Altered Peptide Ligands and MHC with In Vivo Immune Responses

Bernhard Knapp, Ulrich Omasits, Wolfgang Schreiner, Michelle M. Epstein

published 19 Jul 2010

Loading metrics information...

Metrics unavailable. Please check back later.

Modeling the Ternary Complex TCR-Vβ/CollagenII(261–273)/HLA-DR4 Associated with Rheumatoid Arthritis

Maria Cristina De Rosa, Bruno Giardina, Caterina Bianchi, Cristiana Carelli Alinovi, Davide Pirolli, Gianfranco Ferraccioli, Maria De Santis, Gabriele Di Sante, Francesco Ria

published 14 Jul 2010

Loading metrics information...

Metrics unavailable. Please check back later.

Rationalisation of the Differences between APOBEC3G Structures from Crystallography and NMR Studies by Molecular Dynamics Simulations

Flavia Autore, Julien R. C. Bergeron, Michael H. Malim, Franca Fraternali, Hendrik Huthoff

published 12 Jul 2010

Loading metrics information...

Metrics unavailable. Please check back later.

The Role of Phe82 and Phe351 in Auxin-Induced Substrate Perception by TIR1 Ubiquitin Ligase: A Novel Insight from Molecular Dynamics Simulations

Ge-Fei Hao, Guang-Fu Yang

published 20 May 2010

Loading metrics information...

Metrics unavailable. Please check back later.

Optimal Identification of Semi-Rigid Domains in Macromolecules from Molecular Dynamics Simulation

Stefan Bernhard, Frank Noé

published 13 May 2010

Loading metrics information...

Metrics unavailable. Please check back later.

Going beyond Clustering in MD Trajectory Analysis: An Application to Villin Headpiece Folding

Aruna Rajan, Lydia Freddolino, Klaus Schulten

published 15 Apr 2010

Loading metrics information...

Metrics unavailable. Please check back later.

Advertisement

Create a weekly email alert for: Molecular dynamics

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