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Reaction dynamics

Intramolecular tautomerization of the quercetin molecule due to the proton transfer: QM computational study

Ol’ha O. Brovarets’, Dmytro M. Hovorun

Determining the Functions of HIV-1 Tat and a Second Magnesium Ion in the CDK9/Cyclin T1 Complex: A Molecular Dynamics Simulation Study

Hai-Xiao Jin, Mei-Lin Go, [ ... ], Xiao-Jun Yan

Transcription Fluctuation Effects on Biochemical Oscillations

Ryota Nishino, Takahiro Sakaue, Hiizu Nakanishi

Computational explanation for bioactivation mechanism of targeted anticancer agents mediated by cytochrome P450s: A case of Erlotinib

Chun-Zhi Ai, Yong Liu, [ ... ], Yi-Zhou Jiang

Premature Expression of Foxp3 in Double-Negative Thymocytes

Melanie M. Barra, David M. Richards, [ ... ], Markus Feuerer

Why p-OMe- and p-Cl-β-Methylphenethylamines Display Distinct Activities upon MAO-B Binding

Angélica Fierro, Dale E. Edmondson, [ ... ], Gerald Zapata-Torres

Conserved Prosegment Residues Stabilize a Late-Stage Folding Transition State of Pepsin Independently of Ground States

Derek R. Dee, Yasumi Horimoto, Rickey Y. Yada

Reactions of Standing Bipeds on Moving Platforms to Keep Their Balance May Increase the Amplitude of Oscillations of Platforms Satisfying Hooke’s Law

Guillermo H. Goldsztein

Computational singular perturbation analysis of brain lactate metabolism

Dimitris G. Patsatzis, Efstathios-Al. Tingas, Dimitris A. Goussis, S. Mani Sarathy

A transition-based neural framework for Chinese information extraction

Wenzhi Huang, Junchi Zhang, Donghong Ji

Dynamics of two-step reversible enzymatic reaction under fractional derivative with Mittag-Leffler Kernel

Maryam Khan, Zubair Ahmad, [ ... ], Kottakkaran Sooppy Nisar

Conserved N-Terminal Negative Charges Support Optimally Efficient N-type Inactivation of Kv1 Channels

Alison Prince, Paul J. Pfaffinger

Novel pathway for mutagenic tautomerization of classical А∙Т DNA base pairs via sequential proton transfer through quasi-orthogonal transition states: A QM/QTAIM investigation

Ol’ha O. Brovarets’, Kostiantyn S. Tsiupa, Dmytro M. Hovorun

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