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Electrostatics

The Linker Pivot in Ci-VSP: The Key to Unlock Catalysis

Kirstin Hobiger, Tillmann Utesch, [ ... ], Thomas Friedrich

Schiff Base Switch II Precedes the Retinal Thermal Isomerization in the Photocycle of Bacteriorhodopsin

Ting Wang, Marc T. Facciotti, Yong Duan

Involvement of the Same TNFR1 Residue in Mendelian and Multifactorial Inflammatory Disorders

Isabelle Jéru, Serge Charmion, [ ... ], Serge Amselem

Roles for Ordered and Bulk Solvent in Ligand Recognition and Docking in Two Related Cavities

Sarah Barelier, Sarah E. Boyce, [ ... ], Brian K. Shoichet

Nanoscale Roughness and Morphology Affect the IsoElectric Point of Titania Surfaces

Francesca Borghi, Varun Vyas, Alessandro Podestà, Paolo Milani

Prediction of Cross-Recognition of Peptide-HLA A2 by Melan-A-Specific Cytotoxic T Lymphocytes Using Three-Dimensional Quantitative Structure-Activity Relationships

Theres Fagerberg, Vincent Zoete, [ ... ], Olivier Michielin

Slow Sedimentation and Deformability of Charged Lipid Vesicles

Iván Rey Suárez, Chad Leidy, [ ... ], Andres Gonzalez-Mancera

The Effects of Threonine Phosphorylation on the Stability and Dynamics of the Central Molecular Switch Region of 18.5-kDa Myelin Basic Protein

Kenrick A. Vassall, Kyrylo Bessonov, [ ... ], George Harauz

Point Charges Optimally Placed to Represent the Multipole Expansion of Charge Distributions

Ramu Anandakrishnan, Charles Baker, Saeed Izadi, Alexey V. Onufriev

Interface of the Polarizable Continuum Model of Solvation with Semi-Empirical Methods in the GAMESS Program

Casper Steinmann, Kristoffer L. Blædel, Anders S. Christensen, Jan H. Jensen

Oligomerization of Peptides LVEALYL and RGFFYT and Their Binding Affinity to Insulin

Hsin-Lin Chiang, Son Tung Ngo, [ ... ], Mai Suan Li

Molecular Basis for the Dissociation Dynamics of Protein A-Immunoglobulin G1 Complex

Fu-Feng Liu, Bo Huang, Xiao-Yan Dong, Yan Sun

Transient Oligomerization of the SARS-CoV N Protein – Implication for Virus Ribonucleoprotein Packaging

Chung-ke Chang, Chia-Min Michael Chen, [ ... ], Tai-huang Huang

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