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Solvation

Exploring PHD Fingers and H3K4me0 Interactions with Molecular Dynamics Simulations and Binding Free Energy Calculations: AIRE-PHD1, a Comparative Study

Dimitrios Spiliotopoulos, Andrea Spitaleri, Giovanna Musco

Hydrogen Bonding Penalty upon Ligand Binding

Hongtao Zhao, Danzhi Huang

APBSmem: A Graphical Interface for Electrostatic Calculations at the Membrane

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

Difficulties and flaws in performing accurate determinations of zeta potentials of metal nanoparticles in complex solutions—Four case studies

Sara Skoglund, Jonas Hedberg, [ ... ], Inger Odnevall Wallinder

Mechanism of Inhibition of the Human Sirtuin Enzyme SIRT3 by Nicotinamide: Computational and Experimental Studies

Xiangying Guan, Ping Lin, Eric Knoll, Raj Chakrabarti

Molecular Determinants of Epidermal Growth Factor Binding: A Molecular Dynamics Study

Jeffrey M. Sanders, Matthew E. Wampole, Mathew L. Thakur, Eric Wickstrom

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

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

Characterization of Protein-Protein Interaction Interfaces from a Single Species

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

Transactions between self-esteem and perceived conflict in romantic relationships: A 5-year longitudinal study

Julia Richter, Christine Finn

Hydrophobic Interactions Are a Key to MDM2 Inhibition by Polyphenols as Revealed by Molecular Dynamics Simulations and MM/PBSA Free Energy Calculations

Sharad Verma, Sonam Grover, [ ... ], Abhinav Grover

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

Elad Project, Esther Nachliel, Menachem Gutman

Molecular Basis of Bcl-X_L-p53 Interaction: Insights from Molecular Dynamics Simulations

Nagakumar Bharatham, Seung-Wook Chi, Ho Sup Yoon

Four Small Puzzles That Rosetta Doesn't Solve

Rhiju Das

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