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Solvation

Protein Loop Modeling Using a New Hybrid Energy Function and Its Application to Modeling in Inaccurate Structural Environments

Hahnbeom Park, Gyu Rie Lee, Lim Heo, Chaok Seok

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

Ivan Coluzza

Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics, and MM-GBSA

Karel Mena-Ulecia, William Tiznado, Julio Caballero

The Troy Microneedle: A Rapidly Separating, Dissolving Microneedle Formed by Cyclic Contact and Drying on the Pillar (CCDP)

Miroo Kim, Huisuk Yang, [ ... ], Hyungil Jung

Insights on the mechanism of action of immunostimulants in relation to their pharmacological potency. The effects of imidazoquinolines on TLR8

Carlos Kubli-Garfias, Ricardo Vázquez-Ramírez, Cynthia Trejo-Muñoz, Arturo Berber

QM/MM simulations provide insight into the mechanism of bioluminescence triggering in ctenophore photoproteins

Maryam Molakarimi, Ammar Mohseni, [ ... ], Reza H. Sajedi

Organ preservation solution containing dissolved hydrogen gas from a hydrogen-absorbing alloy canister improves function of transplanted ischemic kidneys in miniature pigs

Eiji Kobayashi, Motoaki Sano

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

Construction of sublingual trilaminated Eszopiclone fast dissolving film for the treatment of Insomnia: Formulation, characterization and In vivo clinical comparative pharmacokinetic study in healthy human subjects

Mahmoud Teaima, Mohamed Yasser, [ ... ], Doaa Helal

Thermodynamic and Ultrasonic Properties of Ascorbic Acid in Aqueous Protic Ionic Liquid Solutions

Vickramjeet Singh, Gyanendra Sharma, Ramesh L. Gardas

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

Molecular Dynamics Simulations of Water/Mucus Partition Coefficients for Feeding Stimulants in Fish and the Implications for Olfaction

Alex D. Rygg, Adri C. T. van Duin, Brent A. Craven

Microscopic picture of water-ethylene glycol interaction near a model DNA by computer simulation: Concentration dependence, structure, and localized thermodynamics

Atul Kumar Jaiswal, Rakesh Srivastava, Preeti Pandey, Pradipta Bandyopadhyay

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