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Solvation

Promiscuous Binding in a Selective Protein: The Bacterial Na⁺/H⁺ Antiporter

Raphael Alhadeff, Assaf Ganoth, Miriam Krugliak, Isaiah T. Arkin

Substrate Binding Process and Mechanistic Functioning of Type 1 11β-Hydroxysteroid Dehydrogenase from Enhanced Sampling Methods

Angelo D. Favia, Matteo Masetti, Maurizio Recanatini, Andrea Cavalli

A Coarse-Grained Approach to Protein Design: Learning from Design to Understand Folding

Ivan Coluzza

Characterization of Protein-Protein Interaction Interfaces from a Single Species

David Talavera, David L. Robertson, Simon C. Lovell

Hydrogen Bonding Penalty upon Ligand Binding

Hongtao Zhao, Danzhi Huang

Four Small Puzzles That Rosetta Doesn't Solve

Rhiju Das

Predictions of Hot Spot Residues at Protein-Protein Interfaces Using Support Vector Machines

Stefano Lise, Daniel Buchan, Massimiliano Pontil, David T. Jones

The Dynamics of Ca²⁺ Ions within the Solvation Shell of Calbindin D9k

Elad Project, Esther Nachliel, Menachem Gutman

Proton-Binding Sites of Acid-Sensing Ion Channel 1

Hiroshi Ishikita

APBSmem: A Graphical Interface for Electrostatic Calculations at the Membrane

Keith M. Callenberg, Om P. Choudhary, [ ... ], Michael Grabe

Design of Group IIA Secreted/Synovial Phospholipase A₂ Inhibitors: An Oxadiazolone Derivative Suppresses Chondrocyte Prostaglandin E₂ Secretion

Jean-Edouard Ombetta, Natacha Thelier, [ ... ], Caroline Chauvet

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

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