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Potential energy

Random Forest-Based Protein Model Quality Assessment (RFMQA) Using Structural Features and Potential Energy Terms

Balachandran Manavalan, Juyong Lee, Jooyoung Lee

Linear Population Allocation by Bistable Switches in Response to Transient Stimulation

Jaydeep K. Srimani, Guang Yao, [ ... ], Lingchong You

Visualization of Protein Folding Funnels in Lattice Models

Antonio B. Oliveira Jr., Francisco M. Fatore, [ ... ], Vitor B. P. Leite

Three-Dimensional Mid-Air Acoustic Manipulation by Ultrasonic Phased Arrays

Yoichi Ochiai, Takayuki Hoshi, Jun Rekimoto

Evaluation of Unrestrained Replica-Exchange Simulations Using Dynamic Walkers in Temperature Space for Protein Structure Refinement

Mark A. Olson, Michael S. Lee

Global Genetic Response in a Cancer Cell: Self-Organized Coherent Expression Dynamics

Masa Tsuchiya, Midori Hashimoto, [ ... ], Kenichi Yoshikawa

De Novo Peptide Design and Experimental Validation of Histone Methyltransferase Inhibitors

James Smadbeck, Meghan B. Peterson, [ ... ], Christodoulos A. Floudas

Production and Transfer of Energy and Information in Hamiltonian Systems

Chris G. Antonopoulos, Ezequiel Bianco-Martinez, Murilo S. Baptista

A Simple Lattice Model That Captures Protein Folding, Aggregation and Amyloid Formation

Sanne Abeln, Michele Vendruscolo, Christopher M. Dobson, Daan Frenkel

In Silico Studies in Probing the Role of Kinetic and Structural Effects of Different Drugs for the Reactivation of Tabun-Inhibited AChE

Rabindranath Lo, Nellore Bhanu Chandar, [ ... ], Bishwajit Ganguly

In Silico Mechanistic Profiling to Probe Small Molecule Binding to Sulfotransferases

Virginie Y. Martiny, Pablo Carbonell, [ ... ], Maria A. Miteva

Replica Exchange Improves Sampling in Low-Resolution Docking Stage of RosettaDock

Zhe Zhang, Oliver F. Lange

Comparative Analyses of Lipoprotein Lipase, Hepatic Lipase, and Endothelial Lipase, and Their Binding Properties with Known Inhibitors

Ziyun Wang, Shen Li, [ ... ], Zhenming Liu

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