Zobrazeno 1 - 10
of 60
pro vyhledávání: '"David D. L. Minh"'
Publikováno v:
PLoS ONE, Vol 17, Iss 9 (2022)
Bayesian regression is performed to infer parameters of thermodynamic binding models from isothermal titration calorimetry measurements in which the titrant is an enantiomeric mixture. For some measurements the posterior density is multimodal, indica
Externí odkaz:
https://doaj.org/article/9b564ba2e38d4f7fa6e724b2afac91cc
Autor:
Daniel A. Raba, Ming Yuan, Xuan Fang, William M. Menzer, Bing Xie, Pingdong Liang, Karina Tuz, David D. L. Minh, Oscar Juárez
Publikováno v:
ACS Omega, Vol 4, Iss 21, Pp 19324-19331 (2019)
Externí odkaz:
https://doaj.org/article/3aa29ee1551e4eed8fc50b7f55bc6876
Some data are just underappreciated. Maybe they look different or come from a different background than most other data. Maybe they don't fit neatly into common notions of what data on a ``curve'' should look like. Whatever the case, they are pigeonh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eaff5c567486ab69fda0a8e64e6e48d4
https://doi.org/10.26434/chemrxiv-2023-7wm8k
https://doi.org/10.26434/chemrxiv-2023-7wm8k
Autor:
Trung Hai Nguyen, Ariën S Rustenburg, Stefan G Krimmer, Hexi Zhang, John D Clark, Paul A Novick, Kim Branson, Vijay S Pande, John D Chodera, David D L Minh
Publikováno v:
PLoS ONE, Vol 13, Iss 9, p e0203224 (2018)
Isothermal titration calorimetry (ITC) is the only technique able to determine both the enthalpy and entropy of noncovalent association in a single experiment. The standard data analysis method based on nonlinear regression, however, provides unreali
Externí odkaz:
https://doaj.org/article/18f5005ec38b4fdb9b413060fb12dc72
Publikováno v:
Proteins
Proteins like NADH:ubiquinone oxidoreductase (NQR), an essential enzyme and ion pump in the physiology of several pathogenic bacteria, tightly regulate the redox properties of their cofactors. Although flavin mononucleotide (FMN) is fully reduced in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a313de576f24c8a0362c468835ea6746
https://doi.org/10.1002/prot.26158
https://doi.org/10.1002/prot.26158
Publikováno v:
J Comput Chem
The impact of harmonic restraints on protein heavy atoms and ligand atoms on end-point free energy calculations is systematically characterized for 54 protein-ligand complexes. We observe that stronger restraints reduce the equilibration time and sta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38257fef40d3d4c3cbd0b277b72e8952
https://doi.org/10.1002/jcc.26119
https://doi.org/10.1002/jcc.26119
Publikováno v:
PloS one. 17(9)
Bayesian regression is performed to infer parameters of thermodynamic binding models from isothermal titration calorimetry measurements in which the titrant is an enantiomeric mixture. For some measurements the posterior density is multimodal, indica
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::900966dc4ded4af7bc99ebc4796d82bf
https://pubmed.ncbi.nlm.nih.gov/36173969
https://pubmed.ncbi.nlm.nih.gov/36173969
Autor:
David D. L. Minh, Xuan Fang, Pingdong Liang, Daniel A. Raba, Oscar Juárez, William M. Menzer, Ming Yuan, Bing Xie, Karina Tuz
Publikováno v:
ACS Omega
ACS Omega, Vol 4, Iss 21, Pp 19324-19331 (2019)
ACS Omega, Vol 4, Iss 21, Pp 19324-19331 (2019)
The ion-pumping NADH: ubiquinone dehydrogenase (NQR) is a vital component of the respiratory chain of numerous species of marine and pathogenic bacteria, including Vibrio cholerae. This respiratory enzyme couples the transfer of electrons from NADH t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57a964744a5ec96b07e98c362bafc13f
http://europepmc.org/articles/PMC6868883
http://europepmc.org/articles/PMC6868883
Autor:
William M. Menzer, Daniel A. Raba, Xuan Fang, Srinivas Chakravarthy, Oscar Juárez, Pingdong Liang, Karina Tuz, Andrew Howard, Jerzy Osipiuk, Andrzej Joachimiak, Devin Nissen, Ming Yuan, David D. L. Minh
Publikováno v:
Journal of Biological Chemistry. 294:13800-13810
The flavin transferase ApbE plays essential roles in bacterial physiology, covalently incorporating FMN cofactors into numerous respiratory enzymes that use the integrated cofactors as electron carriers. In this work we performed a detailed kinetic a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::10527000086869c8998cd00cabe9a414
https://doi.org/10.1074/jbc.ra119.008261
https://doi.org/10.1074/jbc.ra119.008261
Autor:
David D. L. Minh
Publikováno v:
J Comput Chem
Alchemical Grid Dock (AlGDock) is open-source software designed to compute the binding potential of mean force (BPMF) - the binding free energy between a flexible ligand and a rigid receptor - for a small organic ligand and a biological macromolecule
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::15f105b8e4f4e4134cc86ffcf3e9c74a
https://doi.org/10.1002/jcc.26036
https://doi.org/10.1002/jcc.26036