An investigation into the effect of metal ion in PA and TEM8 binding

Brian Dominy , Zhe Jia , Christine Ackroyd , Kenneth Christensen

2015
Effects from metal ion in tumor endothelial marker 8 and anthrax protective antigen: BioLayer Interferometry experiment and molecular dynamics simulation study

Zhe Jia , Christine Ackroyd , Tingting Han , Vibhor Agrawal
Journal of Computational Chemistry 38 ( 15) 1183 -1190

4
2017
Enolase Inhibitors as Early Lead Therapeutics against Trypanosoma brucei

Colm P Roster , Danielle LaVigne , Jillian E Milanes , Emily Knight
Pathogens 12 ( 11) 1290 -1290

2023
An improved REMD sampling method: Temperature intervals with global energy reassignment (TIGER)

Xianfeng Li , Galen Collier , Christopher O'Brien , Feng Wang
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 233 170 -170

2007
Truth and lies of MM/GBSA

Zhe Jia , Vibhor Agrawal , Yinling Liu , Tingting Han
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251

1
2016
Transition-state analysis of the uracil DNA glycosylase

Yinling Liu , Tingting Han , Zhe Jia , Vibhor Agrawal
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251

2016
Characterizing biomolecular evolution through molecular dynamics simulations

Brian Dominy , Zhe Jia , Yinling Liu , Tingting Han
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251

2016
Effect of accumulated mutations in plasmodius falciparum dihydrofolate reductase activity

Tingting Han , Vibhor Agrawal , Yinling Liu , Zhe Jia
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250

2015
Molecular dynamics based studies of the mechanisms and limitations of biomolecular evolution resulting in drug resistance

Brian Dominy , Manoj Singh , Tingting Han , Yinling Liu
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250

2015
In silico model for NaAtm1 type ATP binding cassette transporter conformational transitions: Insights from targeted molecular dynamics simulations

Yinling Liu , Zhe Jia , Tingting Han , Vibhor Agrawal
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250

2015
Identifying allosteric modulation and evolution of dynamic networks in Muscarinic receptors

Vibhor Agrawal , Zhe Jia , Tingting Han , Yinling Liu
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250

2015
CHED 280-Modeling the effects of mutation on substrate binding affinity within HIV protease

Andrew McCrone , Brian Dominy , Manoj Singh , Kristina Streu
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 236

2008
Conformational and energetic aspects of receptor-ligand recognition

B. Dominy , M. Vieth , J. D. Hirst , C. L. Brooks
ACS Symposium Series 719 12 -36

1999
Molecular recognition and binding free energy calculations in drug development.

B. Dominy
Current Pharmaceutical Biotechnology 9 ( 2) 87 -95

16
2008
Parameterization and application of a generalized Born model for proteins and nucleic acids.

BN Dominy , CL Brooks
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 217 U689 -U690

1
1999
Dielectric response and electrostatic interactions in protein stability.

CL Brooks , H Minoux , BN Dominy
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 219 U293 -U293

2000
Electrostatic properties as the basis for thermostability.

BN Dominy , H Minoux , CL Brooks
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 219 U329 -U329

2000