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Microsecond Timescale Simulations at the Transition State of PmHMGR Predict Remote Allosteric Residues

Taylor Quinn, Calvin N. Steussy, Brandon E. Haines, Jinping Lei, Wei Wang, Fu Kit Sheong, Cynthia V. Stauffacher, Xuhui Huang, Per-Ola Norrby, Paul Helquist, Olaf Wiest

Version 1 posted 21 October 2019

658

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Theoretical and Computational Chemistry

Working Paper

Directed Evolution of Protoglobin Optimizes the Enzyme Electric Field

Shobhit S. Chaturvedi, Santiago Vargas, Pujan Ajmera, Anastassia N. Alexandrova

Version 1 posted 28 February 2024

480

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Catalysis

Review

Mini Review: Scientific Analysis of Radical S-Adenosylmethionine (SAM) Enzymes

Gallage H. D. N. Ariyaratne

Version 1 posted 29 April 2024

129

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Inorganic Chemistry

Working Paper

How Do Differences in Electronic Structure Affect the Use of Vanadium Intermediates as Mimics in Non-heme Iron Hydroxylases?

Vyshnavi Vennelakanti, Mugyeom Jeon, Heather Kulik

Version 1 posted 21 December 2023

199

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1

Citations

Organic Chemistry

Working Paper

Mechanoenzymatic Breakdown of Chitinous Material to N-Acetylglucosamine: The Benefits of a Solvent-Free Environment

J. P. Daniel Therien, Fabien Hammerer, Tomislav Friscic, Karine Auclair

Version 1 posted 06 May 2019

559

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Biological and Medicinal Chemistry

Working Paper

The Dual Role of Histidine as General Base and Recruiter of a Third Metal Ion in HIV-1 RNase H

Simon L. Dürr, Olga Bohuszewicz, Reynier Suardiaz, Pablo G. Jambrina, Christine Peter, Yihan Shao, Edina Rosta

Version 1 posted 13 June 2019

751

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2

Citations

Catalysis

Working Paper

Substrate Inhibition by the Blockage of Product Release and Its Control by Tunnel Engineering

Piia Kokkonen, Andy Beier, Stanislav Mazurenko, Jiri Damborsky, David Bednar, Zbynek Prokop

Version 1 posted 02 December 2020

307

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Theoretical and Computational Chemistry

Working Paper

Revealing Quantum Mechanical Effects in Enzyme Catalysis with Large-Scale Electronic Structure Simulation

Zhongyue Yang, Rimsha Mehmood, Mengyi Wang, Helena W. Qi, Adam H. Steeves, Heather Kulik

Version 1 posted 26 September 2018

524

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Biological and Medicinal Chemistry

Working Paper

The Protein’s Role in Substrate Positioning and Reactivity for Biosynthetic Enzyme Complexes: the Case of SyrB2/SyrB1

Rimsha Mehmood, Helena W. Qi, Adam H. Steeves, Heather Kulik

Version 1 posted 22 October 2018

773

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Atom Condensed Fukui Function for Condensed Phases and Biological Systems and Its Application to Enzymatic Fixation of Carbon Dioxide

Javier Oller, David A. Sáez, Esteban Vöhringer-Martinez

Version 2 posted 23 September 2019

1,315

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Refine Search

30 results in Enzyme Catalysis in Keywords: Enzyme Catalysis

Microsecond Timescale Simulations at the Transition State of PmHMGR Predict Remote Allosteric Residues

Directed Evolution of Protoglobin Optimizes the Enzyme Electric Field

Mini Review: Scientific Analysis of Radical S-Adenosylmethionine (SAM) Enzymes

How Do Differences in Electronic Structure Affect the Use of Vanadium Intermediates as Mimics in Non-heme Iron Hydroxylases?

Mechanoenzymatic Breakdown of Chitinous Material to N-Acetylglucosamine: The Benefits of a Solvent-Free Environment

The Dual Role of Histidine as General Base and Recruiter of a Third Metal Ion in HIV-1 RNase H

Substrate Inhibition by the Blockage of Product Release and Its Control by Tunnel Engineering

Revealing Quantum Mechanical Effects in Enzyme Catalysis with Large-Scale Electronic Structure Simulation

The Protein’s Role in Substrate Positioning and Reactivity for Biosynthetic Enzyme Complexes: the Case of SyrB2/SyrB1

Atom Condensed Fukui Function for Condensed Phases and Biological Systems and Its Application to Enzymatic Fixation of Carbon Dioxide

30 results in Keywords: Enzyme Catalysis