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Solid state physics

Elucidation of Enzymatic Mechanism of Phenazine Biosynthetic Protein PhzF Using QM/MM and MD Simulations

Fei Liu, Yi-Lei Zhao, [ ... ], Xuehong Zhang

F429 Regulation of Tunnels in Cytochrome P450 2B4: A Top Down Study of Multiple Molecular Dynamics Simulations

Giordano Mancini, Costantino Zazza

Insight into the Mechanism of Intramolecular Inhibition of the Catalytic Activity of Sirtuin 2 (SIRT2)

Jinyu Li, Franziska Flick, [ ... ], Giulia Rossetti

Identification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual Screening

Chiara Ruggeri, Nyssa Drinkwater, [ ... ], Alessandro Paiardini

Glycosylation Effects on FSH-FSHR Interaction Dynamics: A Case Study of Different FSH Glycoforms by Molecular Dynamics Simulations

Biswa Ranjan Meher, Anshuman Dixit, George R. Bousfield, Gerald H. Lushington

Comparison of the Internal Dynamics of Metalloproteases Provides New Insights on Their Function and Evolution

Henrique F. Carvalho, Ana C. A. Roque, Olga Iranzo, Ricardo J. F. Branco

X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, AtzC

Sahil Balotra, Andrew C. Warden, [ ... ], Thomas S. Peat

Serine 363 of a Hydrophobic Region of Archaeal Ribulose 1,5-Bisphosphate Carboxylase/Oxygenase from Archaeoglobus fulgidus and Thermococcus kodakaraensis Affects CO₂/O₂ Substrate Specificity and Oxygen Sensitivity

Nathan E. Kreel, F. Robert Tabita

A Framework to Simplify Combined Sampling Strategies in Rosetta

Justin R. Porter, Brian D. Weitzner, Oliver F. Lange

Dual Functions of the RFTS Domain of Dnmt1 in Replication-Coupled DNA Methylation and in Protection of the Genome from Aberrant Methylation

Ronald Garingalao Garvilles, Takashi Hasegawa, [ ... ], Shoji Tajima

Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzB_SF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri

Chiung-Wen Chang, Elizabeth N. H. Tran, [ ... ], Bostjan Kobe

Methylatable Signaling Helix Coordinated Inhibitory Receiver Domain in Sensor Kinase Modulates Environmental Stress Response in Bacillus Cereus

Jung-Chi Chen, Jyung-Hurng Liu, [ ... ], Chien-Cheng Chen

Synthesis and Characterization of Cobalt(III), Nickel(II) and Copper(II) Mononuclear Complexes with the Ligand 1,3-bis[(2-aminoethyl)amino]-2-propanol and Their Catalase-Like Activity

Bianca M. Pires, Daniel M. Silva, [ ... ], Roberto B. Faria

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