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Biochemical simulations

Computational Analysis of Functional Single Nucleotide Polymorphisms Associated with the CYP11B2 Gene

Minyue Jia, Boyun Yang, [ ... ], Wei Gu

Simulating Metabolism with Statistical Thermodynamics

William R. Cannon

Charged Residues Distribution Modulates Selectivity of the Open State of Human Isoforms of the Voltage Dependent Anion-Selective Channel

Giuseppe Federico Amodeo, Mariano Andrea Scorciapino, [ ... ], Matteo Ceccarelli

Compact Conformations of Human Protein Disulfide Isomerase

Shang Yang, Xi Wang, [ ... ], Jizhong Lou

A Fluorescent Protein Scaffold for Presenting Structurally Constrained Peptides Provides an Effective Screening System to Identify High Affinity Target-Binding Peptides

Tetsuya Kadonosono, Etsuri Yabe, [ ... ], Shinae Kizaka-Kondoh

Insights from Molecular Dynamics Simulations: Structural Basis for the V567D Mutation-Induced Instability of Zebrafish Alpha-Dystroglycan and Comparison with the Murine Model

Davide Pirolli, Francesca Sciandra, [ ... ], Maria Cristina De Rosa

Kinetic and Sequence-Structure-Function Analysis of LinB Enzyme Variants with β- and δ-Hexachlorocyclohexane

Rinku Pandey, Del Lucent, [ ... ], Gunjan Pandey

Structural Basis for the Recognition in an Idiotype-Anti-Idiotype Antibody Complex Related to Celiac Disease

Anna Vangone, Safwat Abdel-Azeim, [ ... ], Romina Oliva

Formulation Optimization and In Vivo Proof-of-Concept Study of Thermosensitive Liposomes Balanced by Phospholipid, Elastin-Like Polypeptide, and Cholesterol

Sun Min Park, Jae Min Cha, [ ... ], Hyun Ryoung Kim

Protein Distributions from a Stochastic Model of the lac Operon of E. coli with DNA Looping: Analytical solution and comparison with experiments

Krishna Choudhary, Stefan Oehler, Atul Narang

Computational Investigation of Locked Nucleic Acid (LNA) Nucleotides in the Active Sites of DNA Polymerases by Molecular Docking Simulations

Vasanthanathan Poongavanam, Praveen K. Madala, Torben Højland, Rakesh N. Veedu

Crosslinking Constraints and Computational Models as Complementary Tools in Modeling the Extracellular Domain of the Glycine Receptor

Zhenyu Liu, Agnieszka Szarecka, [ ... ], Michael Cascio

Comparative Computational Study of Interaction of C₆₀-Fullerene and Tris-Malonyl-C₆₀-Fullerene Isomers with Lipid Bilayer: Relation to Their Antioxidant Effect

Marine E. Bozdaganyan, Philipp S. Orekhov, Alexey K. Shaytan, Konstantin V. Shaitan

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