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Transition state

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

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

Polymer Amide as an Early Topology

Julie E. M. McGeoch, Malcolm W. McGeoch

Visualization of Protein Folding Funnels in Lattice Models

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

Asymmetric Effect of Mechanical Stress on the Forward and Reverse Reaction Catalyzed by an Enzyme

Collin Joseph, Chiao-Yu Tseng, Giovanni Zocchi, Tsvi Tlusty

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

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

The Role of Backbone Hydrogen Bonds in the Transition State for Protein Folding of a PDZ Domain

Søren W. Pedersen, Greta Hultqvist, Kristian Strømgaard, Per Jemth

Ca²⁺ Binding Enhanced Mechanical Stability of an Archaeal Crystallin

Venkatraman Ramanujam, Hema Chandra Kotamarthi, Sri Rama Koti Ainavarapu

Hybrid RHF/MP2 Geometry Optimizations with the Effective Fragment Molecular Orbital Method

Anders S. Christensen, Casper Steinmann, Dmitri G. Fedorov, Jan H. Jensen

Chemical Rescue and Inhibition Studies to Determine the Role of Arg301 in Phosphite Dehydrogenase

John E. Hung, Emily J. Fogle, [ ... ], Wilfred A. van der Donk

Affinity Improvement of a Therapeutic Antibody by Structure-Based Computational Design: Generation of Electrostatic Interactions in the Transition State Stabilizes the Antibody-Antigen Complex

Masato Kiyoshi, Jose M. M. Caaveiro, [ ... ], Kouhei Tsumoto

Structural Determinants of the 5′-Methylthioinosine Specificity of Plasmodium Purine Nucleoside Phosphorylase

Teraya M. Donaldson, Li-Min Ting, [ ... ], Kami Kim

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

OptZyme: Computational Enzyme Redesign Using Transition State Analogues

Matthew J. Grisewood, Nathanael P. Gifford, [ ... ], Costas D. Maranas

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