Donald Hamelberg

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 28

Top Topics

Molecular Dynamics Simulations

Top Venues

The journal of physical chemistry. B

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Xin-Qiu Yao, Donald Hamelberg
Dissecting the Allosteric Fine-Tuning of Enzyme Catalysis. JACS Au 4 (2) (2024)
Xin-Qiu Yao, Donald Hamelberg
Dissecting the Allosteric Fine-Tuning of Enzyme Catalysis. JACS Au 4 (2) (2024)
Daniel Ouedraogo, Michael Souffrant, Xin-Qiu Yao, Donald Hamelberg, Giovanni Gadda
Non-active Site Residue in Loop L4 Alters Substrate Capture and Product Release in d-Arginine Dehydrogenase. Biochemistry 62 (5) (2023)
Daniel Ouedraogo, Michael Souffrant, Xin-Qiu Yao, Donald Hamelberg, Giovanni Gadda
Non-active Site Residue in Loop L4 Alters Substrate Capture and Product Release in d-Arginine Dehydrogenase. Biochemistry 62 (5) (2023)
Daniel Ouedraogo, Michael Souffrant, Xin-Qiu Yao, Donald Hamelberg, Giovanni Gadda
Non-active Site Residue in Loop L4 Alters Substrate Capture and Product Release in d-Arginine Dehydrogenase. Biochemistry 62 (5) (2023)
Daniel Ouedraogo, Michael Souffrant, Xin-Qiu Yao, Donald Hamelberg, Giovanni Gadda
Non-active Site Residue in Loop L4 Alters Substrate Capture and Product Release in d-Arginine Dehydrogenase. Biochemistry (2023)
Daniel Ouedraogo, Michael Souffrant, Xin-Qiu Yao, Donald Hamelberg, Giovanni Gadda
Non-active Site Residue in Loop L4 Alters Substrate Capture and Product Release in d-Arginine Dehydrogenase. Biochemistry 62 (5) (2023)
Michael Souffrant, Xin-Qiu Yao, Donald Hamelberg
Evolving Mutational Buildup in HIV-1 Protease Shifts Conformational Dynamics to Gain Drug Resistance. Journal of chemical information and modeling (2023)
Furyal Ahmed, Xin-Qiu Yao, Donald Hamelberg
Conserved Conformational Dynamics Reveal a Key Dynamic Residue in the Gatekeeper Loop of Human Cyclophilins. The journal of physical chemistry. B (2023)
Jacques Kumutima, Xin-Qiu Yao, Donald Hamelberg
Post-translational Modifications of Cyclophilin D Fine-Tune Its Conformational Dynamics and Activity: Implications for Its Mitochondrial Function. The journal of physical chemistry. B (2022)
Jacques Kumutima, Xin-Qiu Yao, Donald Hamelberg
Post-translational Modifications of Cyclophilin D Fine-Tune Its Conformational Dynamics and Activity: Implications for Its Mitochondrial Function. The journal of physical chemistry. B 126 (51) (2022)
Jacques Kumutima, Xin-Qiu Yao, Donald Hamelberg
Post-translational Modifications of Cyclophilin D Fine-Tune Its Conformational Dynamics and Activity: Implications for Its Mitochondrial Function. The journal of physical chemistry. B 126 (51) (2022)
Xin-Qiu Yao, Donald Hamelberg
From Distinct to Differential Conformational Dynamics to Map Allosteric Communication Pathways in Proteins. The journal of physical chemistry. B 126 (14) (2022)
Xin-Qiu Yao, Donald Hamelberg
Residue-Residue Contact Changes during Functional Processes Define Allosteric Communication Pathways. Journal of chemical theory and computation 18 (2) (2022)
Jacques Kumutima, Xin-Qiu Yao, Donald Hamelberg
Post-translational Modifications of Cyclophilin D Fine-Tune Its Conformational Dynamics and Activity: Implications for Its Mitochondrial Function. The journal of physical chemistry. B 126 (51) (2022)
Archana Iyer, Renata A G Reis, Swathi Gannavaram, Mohamed Momin, Alexander M Spring-Connell, Yoelvis Orozco-Gonzalez, Johnson Agniswamy, Donald Hamelberg, Irene T Weber, Samer Gozem, Siming Wang, Markus W Germann, Giovanni Gadda
A Single-Point Mutation in d-Arginine Dehydrogenase Unlocks a Transient Conformational State Resulting in Altered Cofactor Reactivity. Biochemistry 60 (9) (2021)
Jacques Kumutima, Xin-Qiu Yao, Donald Hamelberg
p53 Is Potentially Regulated by Cyclophilin D in the Triple-Proline Loop of the DNA Binding Domain. Biochemistry 60 (8) (2021)
Xiaonan Deng, Xin-Qiu Yao, Ken Berglund, Bin Dong, Daniel Ouedraogo, Mohammad A Ghane, You Zhuo, Cheyenne McBean, Zheng Zachory Wei, Samer Gozem, Shan P Yu, Ling Wei, Ning Fang, Angela M Mabb, Giovanni Gadda, Donald Hamelberg, Jenny J Yang
Tuning Protein Dynamics to Sense Rapid Endoplasmic-Reticulum Calcium Dynamics. Angewandte Chemie (International ed. in English) 60 (43) (2021)
Eric A Owens, Hang T Huynh, Ekaterina M Stroeva, Arghya Barman, Kostiantyn Ziabrev, Ananya Paul, Sarah V Nguyen, Matthew Laramie, Donald Hamelberg, Markus W Germann, W David Wilson, Maged Henary
Second Generation G-Quadruplex Stabilizing Trimethine Cyanines. Bioconjugate chemistry 30 (10) (2019)
Xin-Qiu Yao, Donald Hamelberg
Detecting Functional Dynamics in Proteins with Comparative Perturbed-Ensembles Analysis. Accounts of chemical research 52 (12) (2019)
Xin-Qiu Yao, Mohamed Momin, Donald Hamelberg
Establishing a Framework of Using Residue-Residue Interactions in Protein Difference Network Analysis. Journal of chemical information and modeling 59 (7) (2019)
Mohamed Momin, Xin-Qiu Yao, Waygen Thor, Donald Hamelberg
Substrate Sequence Determines Catalytic Activities, Domain-Binding Preferences, and Allosteric Mechanisms in Pin1. The journal of physical chemistry. B 122 (25) (2018)
Isela Rodriguez-Bussey, Xin-Qiu Yao, Abdullah Danish Shouaib, Jonathan Lopez, Donald Hamelberg
Decoding Allosteric Communication Pathways in Cyclophilin A with a Comparative Analysis of Perturbed Conformational Ensembles. The journal of physical chemistry. B 122 (25) (2018)
Ka Chun Ho, Donald Hamelberg
Combinatorial Coarse-Graining of Molecular Dynamics Simulations for Detecting Relationships between Local Configurations and Overall Conformations. Journal of chemical theory and computation 14 (11) (2018)
Xin-Qiu Yao, Mohamed Momin, Donald Hamelberg
Elucidating Allosteric Communications in Proteins with Difference Contact Network Analysis. Journal of chemical information and modeling 58 (7) (2018)
Mohamed Momin, Yao Xin, Donald Hamelberg
Allosteric Fine-Tuning of the Binding Pocket Dynamics in the ITK SH2 Domain by a Distal Molecular Switch: An Atomistic Perspective. The journal of physical chemistry. B 121 (25) (2017)
Charles Adeniran, Donald Hamelberg
Redox-Specific Allosteric Modulation of the Conformational Dynamics of κB DNA by Pirin in the NF-κB Supramolecular Complex. Biochemistry 56 (37) (2017)
John M Robbins, Michael G Souffrant, Donald Hamelberg, Giovanni Gadda, Andreas S Bommarius
Enzyme-Mediated Conversion of Flavin Adenine Dinucleotide (FAD) to 8-Formyl FAD in Formate Oxidase Results in a Modified Cofactor with Enhanced Catalytic Properties. Biochemistry 56 (29) (2017)