Deciphering the role of glucosamine-6-phosphate in the riboswitch action of glmS ribozyme

door Xin, Yao, Hamelberg, Donald
Gepubliceerd in 2010

Fe(II)/Fe(III) Redox Process Can Significantly Modulate the Conformational Dynamics and Electrostatics of Pirin in NF-κB Regulation

door Barman, Arghya, Hamelberg, Donald
Gepubliceerd in ACS Omega (2016)

Editorial

door Li, Wentian, Hamelberg, Donald
Gepubliceerd in Comput Biol Chem (2020)

Atomistic basis for the on–off signaling mechanism in SAM-II riboswitch

door Kelley, Jennifer Munro, Hamelberg, Donald
Gepubliceerd in 2010

Mechanistic Insight into the Role of Transition-State Stabilization in Cyclophilin A

door Hamelberg, Donald, McCammon, J. Andrew
Gepubliceerd in 2008

Conformational Plasticity of an Enzyme during Catalysis: Intricate Coupling between Cyclophilin A Dynamics and Substrate Turnover

door McGowan, Lauren C., Hamelberg, Donald
Gepubliceerd in 2013

Atomic-level insights into metabolite recognition and specificity of the SAM-II riboswitch

door Doshi, Urmi, Kelley, Jennifer M., Hamelberg, Donald
Gepubliceerd in 2012

Effect of a neutralized phosphate backbone on the minor groove of B-DNA: molecular dynamics simulation studies

door Hamelberg, Donald, Williams, Loren Dean, Wilson, W. David
Gepubliceerd in 2002

A proposed signaling motif for nuclear import in mRNA processing via the formation of arginine claw

door Hamelberg, Donald, Shen, Tongye, McCammon, J. Andrew
Gepubliceerd in 2007

A dry ligand-binding cavity in a solvated protein

door Qvist, Johan, Davidovic, Monika, Hamelberg, Donald, Halle, Bertil
Gepubliceerd in 2008

Replica-Exchange Accelerated Molecular Dynamics (REXAMD) Applied to Thermodynamic Integration

door Fajer, Mikolai, Hamelberg, Donald, McCammon, J. Andrew
Gepubliceerd in 2008

Dynamical network of residue–residue contacts reveals coupled allosteric effects in recognition, catalysis, and mutation

door Doshi, Urmi, Holliday, Michael J., Eisenmesser, Elan Z., Hamelberg, Donald
Gepubliceerd in Proc Natl Acad Sci U S A (2016)

On the Application of Accelerated Molecular Dynamics to Liquid Water Simulations

door de Oliveira, César Augusto F, Hamelberg, Donald, McCammon, J. Andrew
Gepubliceerd in 2006

Coupling Accelerated Molecular Dynamics Methods with Thermodynamic Integration Simulations

door de Oliveira, César Augusto F., Hamelberg, Donald, McCammon, J. Andrew
Gepubliceerd in 2008

Resolving the complex role of enzyme conformational dynamics in catalytic function

door Doshi, Urmi, McGowan, Lauren C., Ladani, Safieh Tork, Hamelberg, Donald
Gepubliceerd in 2012

The role of conserved water molecules in the catalytic domain of protein kinases

door Knight, James D. R., Hamelberg, Donald, McCammon, J. Andrew, Kothary, Rashmi
Gepubliceerd in 2009

Synergistic mutations in soluble guanylyl cyclase (sGC) reveal a key role for interfacial regions in the sGC activation mechanism

door Childers, Kenneth C., Yao, Xin-Qiu, Giannakoulias, Sam, Amason, Joshua, Hamelberg, Donald, Garcin, Elsa D.
Gepubliceerd in J Biol Chem (2019)

Characterization of a Novel DNA Minor-Groove Complex

door Nguyen, Binh, Hamelberg, Donald, Bailly, Christian, Colson, Pierre, Stanek, Jaroslav, Brun, Reto, Neidle, Stephen, Wilson, W. David
Gepubliceerd in 2004

An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE

door Liu, Fange, Geng, Jiafeng, Gumpper, Ryan H., Barman, Arghya, Davis, Ian, Ozarowski, Andrew, Hamelberg, Donald, Liu, Aimin
Gepubliceerd in J Biol Chem (2015)

Protein conformational dynamics in the mechanism of HIV-1 protease catalysis

door Torbeev, Vladimir Yu., Raghuraman, H., Hamelberg, Donald, Tonelli, Marco, Westler, William M., Perozo, Eduardo, Kent, Stephen B. H.
Gepubliceerd in 2011