Advertisement

Browse Subject Areas

?

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

For more information about PLOS Subject Areas, click here.

Computational chemistry

Assignment of PolyProline II Conformation and Analysis of Sequence – Structure Relationship

Yohann Mansiaux, Agnel Praveen Joseph, Jean-Christophe Gelly, Alexandre G. de Brevern

published 31 Mar 2011

Loading metrics information...

Metrics unavailable. Please check back later.

Structural Asymmetry of Phosphodiesterase-9, Potential Protonation of a Glutamic Acid, and Role of the Invariant Glutamine

Jing Hou, Jie Xu, Ming Liu, Ruizhi Zhao, Hai-Bin Luo, Hengming Ke

published 31 Mar 2011

Loading metrics information...

Metrics unavailable. Please check back later.

Molecular Recognition of H3/H4 Histone Tails by the Tudor Domains of JMJD2A: A Comparative Molecular Dynamics Simulations Study

Musa Ozboyaci, Attila Gursoy, Burak Erman, Ozlem Keskin

published 25 Mar 2011

Loading metrics information...

Metrics unavailable. Please check back later.

Rational Design of T Cell Receptors with Enhanced Sensitivity for Antigen

Rajshekhar Alli, Ziwei M. Zhang, Phuong Nguyen, Jie J. Zheng, Terrence L. Geiger

published 23 Mar 2011

Loading metrics information...

Metrics unavailable. Please check back later.

A Network-Based Multi-Target Computational Estimation Scheme for Anticoagulant Activities of Compounds

Qian Li, Xudong Li, Canghai Li, Lirong Chen, Jun Song, Yalin Tang, Xiaojie Xu

published 22 Mar 2011

Loading metrics information...

Metrics unavailable. Please check back later.

Design of Glycopeptides Used to Investigate Class II MHC Binding and T-Cell Responses Associated with Autoimmune Arthritis

Ida E. Andersson, C. David Andersson, Tsvetelina Batsalova, Balik Dzhambazov, Rikard Holmdahl, Jan Kihlberg, Anna Linusson

published 15 Mar 2011

Loading metrics information...

Metrics unavailable. Please check back later.

The Contribution of Coevolving Residues to the Stability of KDO8P Synthase

Sharon H. Ackerman, Domenico L. Gatti

published 09 Mar 2011

Loading metrics information...

Metrics unavailable. Please check back later.

Unfolding of the Amyloid β-Peptide Central Helix: Mechanistic Insights from Molecular Dynamics Simulations

Mika Ito, Jan Johansson, Roger Strömberg, Lennart Nilsson

published 07 Mar 2011

Loading metrics information...

Metrics unavailable. Please check back later.

The Regulatory Subunit of PKA-I Remains Partially Structured and Undergoes β-Aggregation upon Thermal Denaturation

Khanh K. Dao, Angel L. Pey, Anja Underhaug Gjerde, Knut Teigen, In-Ja L. Byeon, Stein O. Døskeland, Angela M. Gronenborn, Aurora Martinez

published 04 Mar 2011

Loading metrics information...

Metrics unavailable. Please check back later.

Two TPX2-Dependent Switches Control the Activity of Aurora A

Xue Xu, Xia Wang, Zhengtao Xiao, Yan Li, Yonghua Wang

published 09 Feb 2011

Loading metrics information...

Metrics unavailable. Please check back later.

Structural and Functional Similarities between Osmotin from Nicotiana Tabacum Seeds and Human Adiponectin

Marco Miele, Susan Costantini, Giovanni Colonna

published 02 Feb 2011

Loading metrics information...

Metrics unavailable. Please check back later.

The Substrate-Driven Transition to an Inward-Facing Conformation in the Functional Mechanism of the Dopamine Transporter

Jufang Shan, Jonathan A. Javitch, Lei Shi, Harel Weinstein

published 27 Jan 2011

Loading metrics information...

Metrics unavailable. Please check back later.

Acidic Extracellular pH Promotes Activation of Integrin α_vβ₃

Ranjani K. Paradise, Douglas A. Lauffenburger, Krystyn J. Van Vliet

published 19 Jan 2011

Loading metrics information...

Metrics unavailable. Please check back later.

Advertisement

Create a weekly email alert for: Computational chemistry

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