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Transition state

De Novo Enzyme Design Using Rosetta3

Florian Richter, Andrew Leaver-Fay, [ ... ], David Baker

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

Detailed characterization of the solution kinetics and thermodynamics of biotin, biocytin and HABA binding to avidin and streptavidin

Roberto F. Delgadillo, Timothy C. Mueser, [ ... ], Lawrence J. Parkhurst

Catalytic Mechanism of Cellulose Degradation by a Cellobiohydrolase, CelS

Moumita Saharay, Hong Guo, Jeremy C. Smith

Discovering Conformational Sub-States Relevant to Protein Function

Arvind Ramanathan, Andrej J. Savol, [ ... ], Chakra S. Chennubhotla

Coupling between Properties of the Protein Shape and the Rate of Protein Folding

Dmitry N. Ivankov, Natalya S. Bogatyreva, Michail Yu Lobanov, Oxana V. Galzitskaya

The Role of Protein Denaturation Energetics and Molecular Chaperones in the Aggregation and Mistargeting of Mutants Causing Primary Hyperoxaluria Type I

Noel Mesa-Torres, Israel Fabelo-Rosa, [ ... ], Angel L. Pey

Insulin Sensitivity Is Reflected by Characteristic Metabolic Fingerprints - A Fourier Transform Mass Spectrometric Non-Targeted Metabolomics Approach

Marianna Lucio, Agnes Fekete, [ ... ], Rainer Lehmann

Geometric Attributes of Retaining Glycosyltransferase Enzymes Favor an Orthogonal Mechanism

Brock Schuman, Stephen V. Evans, Thomas M. Fyles

Computational Study of a Model System of Enzyme-Mediated [4+2] Cycloaddition Reaction

Evgeniy G. Gordeev, Valentine P. Ananikov

Selection for Protein Kinetic Stability Connects Denaturation Temperatures to Organismal Temperatures and Provides Clues to Archaean Life

M. Luisa Romero-Romero, Valeria A. Risso, [ ... ], Jose M. Sanchez-Ruiz

Implications from a Network-Based Topological Analysis of Ubiquitin Unfolding Simulations

Arun Krishnan, Alessandro Giuliani, Joseph P. Zbilut, Masaru Tomita

A Computational Methodology to Screen Activities of Enzyme Variants

Martin R. Hediger, Luca De Vico, [ ... ], Jan H. Jensen

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