Publications
An asterisk (*) indicates a publication with J. Baudry as Corresponding Author:
An asterisk (*) indicates a publication with J. Baudry as Corresponding Author:
Published since independent position (2008) - from most recent
Published since independent position (2008) - from most recent
79. Ensemble Docking in Drug Discovery: How Many Protein Configurations from Molecular Dynamics Simulations Are Needed to Reproduce Known Ligand Binding?
79. Ensemble Docking in Drug Discovery: How Many Protein Configurations from Molecular Dynamics Simulations Are Needed to Reproduce Known Ligand Binding?
W Evangelista, SR Ellingson, JC Smith, JY Baudry
W Evangelista, SR Ellingson, JC Smith, JY Baudry
J. Phys. Chem B. 2019 Jun 27;123(25):5189-5195
J. Phys. Chem B. 2019 Jun 27;123(25):5189-5195
78. Small molecule condensin inhibitors
78. Small molecule condensin inhibitors
H Zhao, ZM Petrushenko, JK Walker, J Baudry, HI Zgurskaya, W Rybenkov
H Zhao, ZM Petrushenko, JK Walker, J Baudry, HI Zgurskaya, W Rybenkov
ACS infectious diseases 4 (12), 1737-1745
ACS infectious diseases 4 (12), 1737-1745
R E Amaro, J Baudry, J Chodera, Ö Demir, J A McCammon, Y Miao, J C Smith
R E Amaro, J Baudry, J Chodera, Ö Demir, J A McCammon, Y Miao, J C Smith
Volume 114, Issue 10, 22 May 2018, Pages 2271-2278
Volume 114, Issue 10, 22 May 2018, Pages 2271-2278
76. Computationally identified novel agonists for GPRC6A
76. Computationally identified novel agonists for GPRC6A
M Pi, K Kapoor, R Ye, DJ Hwang, DD Miller, JC Smith, J Baudry, LD Quarles
M Pi, K Kapoor, R Ye, DJ Hwang, DD Miller, JC Smith, J Baudry, LD Quarles
PloS one 13 (4), e0195980 2018
PloS one 13 (4), e0195980 2018
75. GPCR6A is a Molecular Target for the Natural Products Gallate and EGCG in Green Tea
75. GPCR6A is a Molecular Target for the Natural Products Gallate and EGCG in Green Tea
M Pi, K Kapoor, R Ye, JC Smith, J Baudry, LD Quarles
M Pi, K Kapoor, R Ye, JC Smith, J Baudry, LD Quarles
Molecular nutrition & food research 2018
Molecular nutrition & food research 2018
74. Ensemble docking to difficult targets in early‐stage drug discovery: Methodology and application to fibroblast growth factor 23
74. Ensemble docking to difficult targets in early‐stage drug discovery: Methodology and application to fibroblast growth factor 23
HA Velazquez, D Riccardi, Z Xiao, LD Quarles, CR Yates, J Baudry, JC Smith
HA Velazquez, D Riccardi, Z Xiao, LD Quarles, CR Yates, J Baudry, JC Smith
Chemical biology & drug design 91 (2), 2018, 491-504
Chemical biology & drug design 91 (2), 2018, 491-504
73. Polycystin-1 interacts with TAZ to stimulate osteoblastogenesis and inhibit adipogenesis
73. Polycystin-1 interacts with TAZ to stimulate osteoblastogenesis and inhibit adipogenesis
Z Xiao, J Baudry, L Cao, J Huang, H Chen, CR Yates, W Li, B Dong, CM Waters, JC Smith, LD Quarles
Z Xiao, J Baudry, L Cao, J Huang, H Chen, CR Yates, W Li, B Dong, CM Waters, JC Smith, LD Quarles
The Journal of clinical investigation 128 (1), 2018, 157-174
The Journal of clinical investigation 128 (1), 2018, 157-174
72. Binding Mechanisms of Electron Transport Proteins with Cyanobacterial Photosystem I: An Integrated Computational and Experimental Model
72. Binding Mechanisms of Electron Transport Proteins with Cyanobacterial Photosystem I: An Integrated Computational and Experimental Model
K Kapoor, DJ Cashman, L Nientimp, BD Bruce, J Baudry
K Kapoor, DJ Cashman, L Nientimp, BD Bruce, J Baudry
J. Phys. Chem. B, 2018, 122 (3), 2017, 1026–1036,
J. Phys. Chem. B, 2018, 122 (3), 2017, 1026–1036,
71. Novel Small Molecule JP-153 Targets the Src-FAK-Paxillin Signaling Complex to Inhibit VEGF-Induced Retinal Angiogenesis (vol 91, pg 1, 2017)
71. Novel Small Molecule JP-153 Targets the Src-FAK-Paxillin Signaling Complex to Inhibit VEGF-Induced Retinal Angiogenesis (vol 91, pg 1, 2017)
JJ Toutounchian, J Pagadala, DD Miller, J Baudry, F Park, E Chaum, V Morales-Tirado, CR Yates
JJ Toutounchian, J Pagadala, DD Miller, J Baudry, F Park, E Chaum, V Morales-Tirado, CR Yates
MOLECULAR PHARMACOLOGY 92 (6), 2017, 627-627
MOLECULAR PHARMACOLOGY 92 (6), 2017, 627-627
70. The quinic acid derivative KZ-41 prevents glucose-induced caspase-3 activation in retinal endothelial cells through an IGF-1 receptor dependent mechanism
70. The quinic acid derivative KZ-41 prevents glucose-induced caspase-3 activation in retinal endothelial cells through an IGF-1 receptor dependent mechanism
H He, RL Weir, JJ Toutounchian, J Pagadala, JJ Steinle, J Baudry, DD Miller, CR Yates
H He, RL Weir, JJ Toutounchian, J Pagadala, JJ Steinle, J Baudry, DD Miller, CR Yates
PloS one 12 (8), 2017, e0180808
PloS one 12 (8), 2017, e0180808
69. Thermophilic Enzyme or Mesophilic Enzyme with Enhanced Thermostability: Can We Draw a Line?
69. Thermophilic Enzyme or Mesophilic Enzyme with Enhanced Thermostability: Can We Draw a Line?
X Jing, W Evangelista Falcon, J Baudry, EH Serpersu
X Jing, W Evangelista Falcon, J Baudry, EH Serpersu
The Journal of Physical Chemistry B 121 (29), 2017, 7086-7094
The Journal of Physical Chemistry B 121 (29), 2017, 7086-7094
68. Identification and Structure–Activity Relationships of Novel Compounds that Potentiate the Activities of Antibiotics in Escherichia coli
68. Identification and Structure–Activity Relationships of Novel Compounds that Potentiate the Activities of Antibiotics in Escherichia coli
KM Haynes, N Abdali, V Jhawar, HI Zgurskaya, JM Parks, AT Green, J Baudry, VV Rybenkov, JC Smith, JK Walker
KM Haynes, N Abdali, V Jhawar, HI Zgurskaya, JM Parks, AT Green, J Baudry, VV Rybenkov, JC Smith, JK Walker
Journal of Medicinal Chemistry 60 (14), 2017, 6205-6219
Journal of Medicinal Chemistry 60 (14), 2017, 6205-6219
67. Structure-based design of broadly protective group a streptococcal M protein-based vaccines
67. Structure-based design of broadly protective group a streptococcal M protein-based vaccines
JB Dale, PR Smeesters, HS Courtney, TA Penfound, CM Hohn, JC Smith, J Baudry
JB Dale, PR Smeesters, HS Courtney, TA Penfound, CM Hohn, JC Smith, J Baudry
Vaccine 35 (1), 2017, 19-26
Vaccine 35 (1), 2017, 19-26
66. Novel small molecule JP-153 targets the Src-FAK-paxillin signaling complex to inhibit VEGF-induced retinal angiogenesis
66. Novel small molecule JP-153 targets the Src-FAK-paxillin signaling complex to inhibit VEGF-induced retinal angiogenesis
JJ Toutounchian, J Pagadala, DD Miller, J Baudry, F Park, E Chaum, CR Yates
JJ Toutounchian, J Pagadala, DD Miller, J Baudry, F Park, E Chaum, CR Yates
Molecular pharmacology 91 (1), 2017, 1-13
Molecular pharmacology 91 (1), 2017, 1-13
65. Targeting Src/FAK/Paxillin Signalsome in Neovascular Disease
65. Targeting Src/FAK/Paxillin Signalsome in Neovascular Disease
Jordan J. Toutounchian, Jayaprakash Pagadala, Duane D. Miller, Jerome Baudry, Frank Park, Edward Chaum and Charles R. Yates
Jordan J. Toutounchian, Jayaprakash Pagadala, Duane D. Miller, Jerome Baudry, Frank Park, Edward Chaum and Charles R. Yates
Molecular Pharmacology January 1, 2017, 91 (1) 1-13;
Molecular Pharmacology January 1, 2017, 91 (1) 1-13;
64., Structure-based design of broadly protective group a streptococcal M protein-based vaccines
64., Structure-based design of broadly protective group a streptococcal M protein-based vaccines
James B. Dale, Pierre R. Smeesters, Harry S. Courtney, Thomas A. Penfound, Claudia M. Hohn, Jeremy C. Smith, Jerome Y. Baudry
James B. Dale, Pierre R. Smeesters, Harry S. Courtney, Thomas A. Penfound, Claudia M. Hohn, Jeremy C. Smith, Jerome Y. Baudry
Vaccine, Volume 35, Issue 1, 2017, Pages 19-26, ISSN 0264-410X,.
Vaccine, Volume 35, Issue 1, 2017, Pages 19-26, ISSN 0264-410X,.
63. A computationally identified compound antagonizes excess FGF-23 signaling in renal tubules and a mouse model of hypophosphatemia
63. A computationally identified compound antagonizes excess FGF-23 signaling in renal tubules and a mouse model of hypophosphatemia
By Zhousheng Xiao, Demian Riccardi, Hector A. Velazquez, Ai L. Chin, Charles R. Yates, Jesse D. Carrick, Jeremy C. Smith, Jerome Baudry, L. Darryl Quarles.
By Zhousheng Xiao, Demian Riccardi, Hector A. Velazquez, Ai L. Chin, Charles R. Yates, Jesse D. Carrick, Jeremy C. Smith, Jerome Baudry, L. Darryl Quarles.
Sci. Signal.22 Nov 2016 : ra113
Sci. Signal.22 Nov 2016 : ra113
62. Reviving Antibiotics: Efflux Pump Inhibitors That Interact with AcrA, a Membrane Fusion Protein of the AcrAB-TolC Multidrug Efflux Pump
62. Reviving Antibiotics: Efflux Pump Inhibitors That Interact with AcrA, a Membrane Fusion Protein of the AcrAB-TolC Multidrug Efflux Pump
Narges Abdali, Jerry M. Parks, Keith M. Haynes, Julie L. Chaney, Adam T. Green, David Wolloscheck, John K. Walker, Valentin V. Rybenkov, Jerome Baudry, Jeremy C. Smith, and Helen I. Zgurskaya
Narges Abdali, Jerry M. Parks, Keith M. Haynes, Julie L. Chaney, Adam T. Green, David Wolloscheck, John K. Walker, Valentin V. Rybenkov, Jerome Baudry, Jeremy C. Smith, and Helen I. Zgurskaya
ACS Infectious Diseases
ACS Infectious Diseases
DOI: 10.1021/acsinfecdis.6b00167
DOI: 10.1021/acsinfecdis.6b00167
61. (*) Highly Dynamic Anion–Quadrupole Networks in Proteins
61. (*) Highly Dynamic Anion–Quadrupole Networks in Proteins
Karan Kapoor, Michael R. Duff, Amit Upadhyay, Joel C. Bucci, Arnold M. Saxton, Robert J. Hinde, Elizabeth E. Howell, and Jerome Baudry
Karan Kapoor, Michael R. Duff, Amit Upadhyay, Joel C. Bucci, Arnold M. Saxton, Robert J. Hinde, Elizabeth E. Howell, and Jerome Baudry
Biochemistry 2016 55 (43), 6056-6069
Biochemistry 2016 55 (43), 6056-6069
DOI: 10.1021/acs.biochem.6b00624
DOI: 10.1021/acs.biochem.6b00624
60. (*) Ensemble-based docking: From hit discovery to metabolism and toxicity predictions
60. (*) Ensemble-based docking: From hit discovery to metabolism and toxicity predictions
W Evangelista, RL Weir, SR Ellingson, JB Harris, K Kapoor, JC Smith, and J. Baudry
W Evangelista, RL Weir, SR Ellingson, JB Harris, K Kapoor, JC Smith, and J. Baudry
In Press. Bioorganic & Medicinal Chemistry (2016)
In Press. Bioorganic & Medicinal Chemistry (2016)
(Baudry co-corresponding author with Smith)
(Baudry co-corresponding author with Smith)
59. Evidence for Osteocalcin Binding and Activation of GPRC6A in β-Cells
59. Evidence for Osteocalcin Binding and Activation of GPRC6A in β-Cells
M Pi, K Kapoor, R Ye, SK Nishimoto, JC Smith, J Baudry, LD Quarles
M Pi, K Kapoor, R Ye, SK Nishimoto, JC Smith, J Baudry, LD Quarles
Endocrinology (2016) 157 (5), 1866-1880
Endocrinology (2016) 157 (5), 1866-1880
58. (*) Discovery of Novel Non-Active Site Inhibitors of the Prothrombinase Enzyme Complex
58. (*) Discovery of Novel Non-Active Site Inhibitors of the Prothrombinase Enzyme Complex
K. Kapoor, N. McGill, C. Peterson, H. Meyers, M. Blackburn and J. Baudry
K. Kapoor, N. McGill, C. Peterson, H. Meyers, M. Blackburn and J. Baudry
J. Chem. Inf. Model. (2016) 56 (3), 535-547
J. Chem. Inf. Model. (2016) 56 (3), 535-547
(Baudry co-corresponding author with Blackburn)
(Baudry co-corresponding author with Blackburn)
57. General Trends of Dihedral Conformational Transitions in a Globular Protein
57. General Trends of Dihedral Conformational Transitions in a Globular Protein
Y. Miao, J. Baudry, JC. Smith and A. McCammon
Y. Miao, J. Baudry, JC. Smith and A. McCammon
PROTEINS: Structure, Function, and Bioinformatics (2016) DOI: 10.1002/prot.24996
PROTEINS: Structure, Function, and Bioinformatics (2016) DOI: 10.1002/prot.24996
M Pi, K Kapoor, Y Wu, R Ye, SE Senogles, SK Nishimoto, DJ Hwang, DD Miller, R Narayanan, JC Smith, J. Baudry, and LD Quarles
M Pi, K Kapoor, Y Wu, R Ye, SE Senogles, SK Nishimoto, DJ Hwang, DD Miller, R Narayanan, JC Smith, J. Baudry, and LD Quarles
Molecular Endocrinology (2015) 29 (12), 1759-1773
Molecular Endocrinology (2015) 29 (12), 1759-1773
55. (*) Discovery of an Inhibitor of Z-Alpha 1 Antitrypsin Polymerization
55. (*) Discovery of an Inhibitor of Z-Alpha 1 Antitrypsin Polymerization
V. Berthelier, J.B. Harris, K.N. Estenson, and J. Baudry
V. Berthelier, J.B. Harris, K.N. Estenson, and J. Baudry
PLOS ONE (2015) 10.1371/journal.pone.0126256
PLOS ONE (2015) 10.1371/journal.pone.0126256
(Baudry co-corresponding author with Berthelier)
(Baudry co-corresponding author with Berthelier)
54. Multi-Conformer Ensemble Docking to Difficult Protein Targets
54. Multi-Conformer Ensemble Docking to Difficult Protein Targets
S Ellingson, Y. Miao, J. Baudry and J.C. Smith
S Ellingson, Y. Miao, J. Baudry and J.C. Smith
J. Phys. Chem. B. (2014), DOI: 10.1021/jp506511p
J. Phys. Chem. B. (2014), DOI: 10.1021/jp506511p
53. (*) Molecular Interactions Between Photosystem I and Ferredoxin: An Integrated Energy Frustration and Experimental Model
53. (*) Molecular Interactions Between Photosystem I and Ferredoxin: An Integrated Energy Frustration and Experimental Model
D.J. Cashman; T. Zhu; R.F. Simmerman; C. Scott; B.D. Bruce, and J. Baudry
D.J. Cashman; T. Zhu; R.F. Simmerman; C. Scott; B.D. Bruce, and J. Baudry
Journal of Molecular Recognition (2014), 27 (10), 597-608.
Journal of Molecular Recognition (2014), 27 (10), 597-608.
(Baudry co- corresponding author with Bruce)
(Baudry co- corresponding author with Bruce)
52. (*) A Computational Approach Predicting CYP450 Metabolism and Estrogenic activity of an Endocrine Disrupting Compound (PCB-30)
52. (*) A Computational Approach Predicting CYP450 Metabolism and Estrogenic activity of an Endocrine Disrupting Compound (PCB-30)
J.B. Harris, M.L. Eldridge, G. Sayler, F. Menn, A.C. Layton, and J. Baudry
J.B. Harris, M.L. Eldridge, G. Sayler, F. Menn, A.C. Layton, and J. Baudry
Environmental Toxicology and Chemistry (2014), 33 (7), 1615-1623.
Environmental Toxicology and Chemistry (2014), 33 (7), 1615-1623.
(Baudry co- corresponding author with Layton)
(Baudry co- corresponding author with Layton)
51. (*) Polypharmacology and Supercomputer-Based Docking: Opportunities and Challenges
51. (*) Polypharmacology and Supercomputer-Based Docking: Opportunities and Challenges
S. Ellingson, J.C. Smith, and J. Baudry
S. Ellingson, J.C. Smith, and J. Baudry
Molecular Simulation, (2014) DOI: 10.1080/08927022.2014.899699
Molecular Simulation, (2014) DOI: 10.1080/08927022.2014.899699
(Baudry corresponding author)
(Baudry corresponding author)
50. (*) A Phenylalanine Rotameric Switch for Signal-State Control in Bacterial Chemoreceptors
50. (*) A Phenylalanine Rotameric Switch for Signal-State Control in Bacterial Chemoreceptors
D. Ortega, C. Yang, P. Ames, J. Baudry, J.S Parkinson, and I. Zhulin
D. Ortega, C. Yang, P. Ames, J. Baudry, J.S Parkinson, and I. Zhulin
Nature Communications. (2013), 4, DOI:10.1038/ncomms3881
Nature Communications. (2013), 4, DOI:10.1038/ncomms3881
(Baudry co-corresponding author with Zhulin)
(Baudry co-corresponding author with Zhulin)
49. Conformational Coupling between Receptor and Kinase Binding Sites through a Conserved Salt Bridge in a Signaling Complex Scaffold Protein
49. Conformational Coupling between Receptor and Kinase Binding Sites through a Conserved Salt Bridge in a Signaling Complex Scaffold Protein
D. Ortega, G. Mo., K. Lee, H. Zhou, J. Baudry, D. Dahlquist, and I. Zhulin
D. Ortega, G. Mo., K. Lee, H. Zhou, J. Baudry, D. Dahlquist, and I. Zhulin
PLOS Comp Biol. (2013), DOI: 10.1371/journal.pcbi.1003337
PLOS Comp Biol. (2013), DOI: 10.1371/journal.pcbi.1003337
48. (*) Homology Modeling of the CheW Coupling Protein of the Chemotaxis Signaling Complex
48. (*) Homology Modeling of the CheW Coupling Protein of the Chemotaxis Signaling Complex
D. Cashman, D. Ortega., I. Zhulin., and J. Baudry
D. Cashman, D. Ortega., I. Zhulin., and J. Baudry
PLOS One 8(8): e70705. doi:10.1371/journal.pone.0070705
PLOS One 8(8): e70705. doi:10.1371/journal.pone.0070705
(Baudry corresponding author)
(Baudry corresponding author)
47. (*) VinaMPI: Facilitating Multiple Receptor High-Throughput Virtual Docking on High Performance Computers
47. (*) VinaMPI: Facilitating Multiple Receptor High-Throughput Virtual Docking on High Performance Computers
S. Ellingson, J.C. Smith, and J. Baudry
S. Ellingson, J.C. Smith, and J. Baudry
J. Comput. Chem. (2013) DOI: 10.1002/jcc.23367
J. Comput. Chem. (2013) DOI: 10.1002/jcc.23367
(Baudry corresponding author)
(Baudry corresponding author)
SR Ellingson, S Dakshanamurthy, M Brown, JC Smith, and J Baudry.
SR Ellingson, S Dakshanamurthy, M Brown, JC Smith, and J Baudry.
Concurrency and Computation: Practice and Experience. (2013) DOI:10.1002/cpe.3070
Concurrency and Computation: Practice and Experience. (2013) DOI:10.1002/cpe.3070
(Baudry corresponding author)
(Baudry corresponding author)
D. C. Glass, M. Krishnan, J. C. Smith, J. Baudry
D. C. Glass, M. Krishnan, J. C. Smith, J. Baudry
J. Phys. Chem. B. (2013), 117 (11): 3127-3134
J. Phys. Chem. B. (2013), 117 (11): 3127-3134
(Baudry corresponding author)
(Baudry corresponding author)
44. (*) STAAR: Statistical Analysis of Aromatic Rings
44. (*) STAAR: Statistical Analysis of Aromatic Rings
D.D. Jenkins, J.B. Harris, E.E. Howell, R.J. Hinde, J. Baudry
D.D. Jenkins, J.B. Harris, E.E. Howell, R.J. Hinde, J. Baudry
J. Comput. Chem. (2013), 34(6): 518-22
J. Comput. Chem. (2013), 34(6): 518-22
(Baudry corresponding author)
(Baudry corresponding author)
43. Coupled Flexibility Change in Cytochrome P450cam Substrate Binding Determined by Neutron Scattering, NMR, and Molecular Dynamics Simulation
43. Coupled Flexibility Change in Cytochrome P450cam Substrate Binding Determined by Neutron Scattering, NMR, and Molecular Dynamics Simulation
Y. Miao, Z. Yi, C. Cantrell, D.C. Glass, J. Baudry, N. Jain, J.C. Smith
Y. Miao, Z. Yi, C. Cantrell, D.C. Glass, J. Baudry, N. Jain, J.C. Smith
Biophysical journal (2012), 103 (10): 2167-2176
Biophysical journal (2012), 103 (10): 2167-2176
Y. Miao, Z. Yi, D.C. Glass, L. Hong, M. Tyagi, J Baudry, N. Jain, J.C. Smith
Y. Miao, Z. Yi, D.C. Glass, L. Hong, M. Tyagi, J Baudry, N. Jain, J.C. Smith
J. Am. Chem. Soc. (2012) 134 (48): 19576-19579
J. Am. Chem. Soc. (2012) 134 (48): 19576-19579
41. (*) Accelerating Virtual High-Throughput Ligand Docking: Screening One Million Compounds Using a Petascale Supercomputer
41. (*) Accelerating Virtual High-Throughput Ligand Docking: Screening One Million Compounds Using a Petascale Supercomputer
S. Ellingson, S. Dakshanamurthy, M. Brown, J.C. Smith, J. Baudry
S. Ellingson, S. Dakshanamurthy, M. Brown, J.C. Smith, J. Baudry
ECMLS 2012,
ECMLS 2012,
(Baudry corresponding author)
(Baudry corresponding author)
40. (*) High-Throughput Virtual Molecular Docking with AutoDockCloud
40. (*) High-Throughput Virtual Molecular Docking with AutoDockCloud
S.R. Ellingson and J. Baudry
S.R. Ellingson and J. Baudry
Concurrency and Computation: Practice and Experience.2012 doi: 10.1002/cpe.2926
Concurrency and Computation: Practice and Experience.2012 doi: 10.1002/cpe.2926
(Baudry corresponding author)
(Baudry corresponding author)
Z. Yi, Y. Miao, J. Baudry, N. Jain, and J. C. Smith
Z. Yi, Y. Miao, J. Baudry, N. Jain, and J. C. Smith
J. Phys. Chem. B. (2012),116 (16): 5028–5036
J. Phys. Chem. B. (2012),116 (16): 5028–5036
38. (*) Coenzyme-A Binding to the Aminoglycoside Acetyltransferase (3)-IIIb Increases Conformational Sampling of Antibiotic Binding Site.
38. (*) Coenzyme-A Binding to the Aminoglycoside Acetyltransferase (3)-IIIb Increases Conformational Sampling of Antibiotic Binding Site.
X. Hu, A.L. Norris, J. Baudry, and E.H. Serpersu.
X. Hu, A.L. Norris, J. Baudry, and E.H. Serpersu.
Biochemistry (2011) 50(48): 10559-10565
Biochemistry (2011) 50(48): 10559-10565
(Baudry co-corresponding author)
(Baudry co-corresponding author)
37. VITAL NMR: Using Chemical Shift Derived Secondary Structure Information for a Limited Set of Amino Acids to Assess Homology Model Accuracy
37. VITAL NMR: Using Chemical Shift Derived Secondary Structure Information for a Limited Set of Amino Acids to Assess Homology Model Accuracy
M.C. Brothers , A.E. Nesbitt, M.J. Hallock, S.G. Rupasinghe, M. Tang, J. Harris, J. Baudry, M.A. Schuler, and C.M. Rienstra
M.C. Brothers , A.E. Nesbitt, M.J. Hallock, S.G. Rupasinghe, M. Tang, J. Harris, J. Baudry, M.A. Schuler, and C.M. Rienstra
J. Biomolecular NMR. (2011) EPub ahead of print. PMID:22183804
J. Biomolecular NMR. (2011) EPub ahead of print. PMID:22183804
36. (*) Active site hydration and water diffusion in cytochrome P450cam: a highly dynamic process.
36. (*) Active site hydration and water diffusion in cytochrome P450cam: a highly dynamic process.
Y. Miao and J. Baudry
Y. Miao and J. Baudry
Biophysical Journal, (2011), 101 (6): 1493-1503
Biophysical Journal, (2011), 101 (6): 1493-1503
(Baudry corresponding author)
(Baudry corresponding author)
35. Arabidopsis NIP7;1: An anther-specific boric acid transporter of the aquaporin superfamily regulated by an unusual tyrosine in helix 2 of the transport pore.
35. Arabidopsis NIP7;1: An anther-specific boric acid transporter of the aquaporin superfamily regulated by an unusual tyrosine in helix 2 of the transport pore.
T. Li, C. Won-Gyu, I. Wallace, J. Baudry, and D. Roberts
T. Li, C. Won-Gyu, I. Wallace, J. Baudry, and D. Roberts
Biochemistry, (2011), 50(31): 6633–6641
Biochemistry, (2011), 50(31): 6633–6641
34. (*) Three-dimensional mapping of micro-environmental control of methyl rotational barriers.
34. (*) Three-dimensional mapping of micro-environmental control of methyl rotational barriers.
W.I. Hembree and J. Baudry
W.I. Hembree and J. Baudry
J. Phys. Chem. B. (2011), 115 (26): 8575–8580
J. Phys. Chem. B. (2011), 115 (26): 8575–8580
(Baudry corresponding author)
(Baudry corresponding author)
33. (*) High-Throughput Virtual Molecular Docking: Hadoop Implementation of AutoDock4 on a Private Cloud.
33. (*) High-Throughput Virtual Molecular Docking: Hadoop Implementation of AutoDock4 on a Private Cloud.
S.R. Ellingson and J. Baudry
S.R. Ellingson and J. Baudry
ECMLS 2011
ECMLS 2011
(Baudry corresponding author)
(Baudry corresponding author)
32. A survey of aspartate-phenylalanine and glutamate-phenylalanine interactions in the protein data bank: searching for anion-π pairs.
32. A survey of aspartate-phenylalanine and glutamate-phenylalanine interactions in the protein data bank: searching for anion-π pairs.
V. Phillips, J. Harris, R, Adams, D. Nguyen, J. Spiers, J. Baudry, E.E. Howell and R.J. Hinde
V. Phillips, J. Harris, R, Adams, D. Nguyen, J. Spiers, J. Baudry, E.E. Howell and R.J. Hinde
Biochemistry, (2011) 50 (14):2939-2950
Biochemistry, (2011) 50 (14):2939-2950
31. (*)Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computers.
31. (*)Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computers.
B. Collignon, R. Schulz, J.C. Smith and J. Baudry
B. Collignon, R. Schulz, J.C. Smith and J. Baudry
J. Comput. Chem. (2011) 32 (6): 1202–1209
J. Comput. Chem. (2011) 32 (6): 1202–1209
(Baudry corresponding author)
(Baudry corresponding author)
Published based on work done before independent position: 30 publications, 14 with Baudry first author, 4 with Baudry corresponding author.
Published based on work done before independent position: 30 publications, 14 with Baudry first author, 4 with Baudry corresponding author.
30 other publications
30 other publications
Selected publications amongst the 30 pre-independent papers:
Selected publications amongst the 30 pre-independent papers:
Biasing reaction pathways with mechanical force
Biasing reaction pathways with mechanical force
CR Hickenboth, JS Moore, SR White, NR Sottos, J Baudry, SR Wilson
CR Hickenboth, JS Moore, SR White, NR Sottos, J Baudry, SR Wilson
Nature 446 (7134), 423-427 (2007)
Nature 446 (7134), 423-427 (2007)
(*) Van der Waals interactions and decrease of the rotational barrier of methyl-sized rotators: a theoretical study
(*) Van der Waals interactions and decrease of the rotational barrier of methyl-sized rotators: a theoretical study
J Baudry
J Baudry
Journal of the American Chemical Society 128 (34), 11088-11093 (2006)
Journal of the American Chemical Society 128 (34), 11088-11093 (2006)
Determinants of catalytic power and ligand binding in glutamate racemase
Determinants of catalytic power and ligand binding in glutamate racemase
MA Spies, JG Reese, D Dodd, KL Pankow, SR Blanke, J Baudry
MA Spies, JG Reese, D Dodd, KL Pankow, SR Blanke, J Baudry
Journal of the American Chemical Society 131 (14), 5274-5284 (2008)
Journal of the American Chemical Society 131 (14), 5274-5284 (2008)
(*) Can proteins and crystals self-catalyze methyl rotations?
(*) Can proteins and crystals self-catalyze methyl rotations?
J Baudry, JC Smith
J Baudry, JC Smith
The Journal of Physical Chemistry B 109 (43), 20572-20578 (2005)
The Journal of Physical Chemistry B 109 (43), 20572-20578 (2005)
(*)Structure-Based Design and In Silico Virtual Screening of Combinatorial Libraries. A Combined Chemical-Computational Project
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J Baudry, PJ Hergenrother
J Baudry, PJ Hergenrother
J. Chem. Educ 82 (6), 890 (2005)
J. Chem. Educ 82 (6), 890 (2005)