-
1
-
-
79954645991
-
Healthcare utilization and cost of pneumococcal disease in the United States
-
Huang, S. S. et al. Healthcare utilization and cost of pneumococcal disease in the United States. Vaccine 29, 3398-3412, doi: 10.1016/j.vaccine.2011.02.088 (2011).
-
(2011)
Vaccine
, vol.29
, pp. 3398-3412
-
-
Huang, S.S.1
-
2
-
-
84865431802
-
The fundamental link between pneumococcal carriage and disease
-
Simell, B. et al. The fundamental link between pneumococcal carriage and disease. Expert Rev Vaccines 11, 841-855, doi: 10.1586/Erv.12.53 (2012).
-
(2012)
Expert Rev Vaccines
, vol.11
, pp. 841-855
-
-
Simell, B.1
-
3
-
-
84858139996
-
Childhood pneumonia as a global health priority and the strategic interest of the Bill & Melinda Gates Foundation
-
Adegbola, R. A. Childhood pneumonia as a global health priority and the strategic interest of the Bill & Melinda Gates Foundation. Clin Infect Dis 54 Suppl 2, S89-92, doi: 10.1093/cid/cir1051 (2012).
-
(2012)
Clin Infect Dis
, vol.54
, pp. S89-92
-
-
Adegbola, R.A.1
-
4
-
-
40949162838
-
The role of Streptococcus pneumoniae virulence factors in host respiratory colonization and disease
-
Kadioglu, A., Weiser, J. N., Paton, J. C. & Andrew, P. W. The role of Streptococcus pneumoniae virulence factors in host respiratory colonization and disease. Nat Rev Microbiol 6, 288-301, doi: 10.1038/Nrmicro1871 (2008).
-
(2008)
Nat Rev Microbiol
, vol.6
, pp. 288-301
-
-
Kadioglu, A.1
Weiser, J.N.2
Paton, J.C.3
Andrew, P.W.4
-
5
-
-
1442299471
-
Streptococcus pneumoniae colonisation: The key to pneumococcal disease
-
Bogaert, D., de Groot, R. & Hermans, P. W. M. Streptococcus pneumoniae colonisation: the key to pneumococcal disease. Lancet Infect Dis 4, 144-154, doi: 10.1016/S1473-3099(04)00938-7 (2004).
-
(2004)
Lancet Infect Dis
, vol.4
, pp. 144-154
-
-
Bogaert, D.1
De Groot, R.2
Hermans, P.W.M.3
-
6
-
-
78651457518
-
Cellular interactions by LPxTG-anchored pneumococcal adhesins and their streptococcal homologues
-
Lofing, J., Vimberg, V., Battig, P. & Henriques-Normark, B. Cellular interactions by LPxTG-anchored pneumococcal adhesins and their streptococcal homologues. Cellular Microbiology 13, 186-197, doi: 10.1111/j.1462-5822.2010.01560.x (2011).
-
(2011)
Cellular Microbiology
, vol.13
, pp. 186-197
-
-
Lofing, J.1
Vimberg, V.2
Battig, P.3
Henriques-Normark, B.4
-
7
-
-
0030444832
-
Structures, biological signifcance and therapeutic potential
-
Taylor, G. Sialidases: Structures, biological signifcance and therapeutic potential. Curr Opin Struc Biol 6, 830-837, doi: 10.1016/S0959-440x(96)80014-5 (1996).
-
(1996)
Curr Opin Struc Biol
, vol.6
, pp. 830-837
-
-
Taylor, G.1
Sialidases2
-
8
-
-
0033977389
-
Evaluation of the virulence of a Streptococcus pneumoniae neuraminidase-defcient mutant in nasopharyngeal colonization and development of otitis media in the chinchilla model
-
Tong, H. H., Blue, L. E., James, M. A. & DeMaria, T. F. Evaluation of the virulence of a Streptococcus pneumoniae neuraminidase-defcient mutant in nasopharyngeal colonization and development of otitis media in the chinchilla model. Infection and Immunity 68, 921-924 (2000).
-
(2000)
Infection and Immunity
, vol.68
, pp. 921-924
-
-
Tong, H.H.1
Blue, L.E.2
James, M.A.3
DeMaria, T.F.4
-
9
-
-
33645087140
-
Deglycosylation of human glycoconjugates by the sequential activities of exoglycosidases expressed by Streptococcus pneumoniae
-
King, S. J., Hippe, K. R. & Weiser, J. N. Deglycosylation of human glycoconjugates by the sequential activities of exoglycosidases expressed by Streptococcus pneumoniae. Mol Microbiol 59, 961-974, doi: 10.1111/j.1365-2958.2005.04984.x (2006).
-
(2006)
Mol Microbiol
, vol.59
, pp. 961-974
-
-
King, S.J.1
Hippe, K.R.2
Weiser, J.N.3
-
10
-
-
6944224035
-
Tissue-specifc contributions of pneumococcal virulence factors to pathogenesis
-
Orihuela, C. J., Gao, G. L., Francis, K. P., Yu, J. & Tuomanen, E. I. Tissue-specifc contributions of pneumococcal virulence factors to pathogenesis. Journal of Infectious Diseases 190, 1661-1669, doi: 10.1086/424596 (2004).
-
(2004)
Journal of Infectious Diseases
, vol.190
, pp. 1661-1669
-
-
Orihuela, C.J.1
Gao, G.L.2
Francis, K.P.3
Yu, J.4
Tuomanen, E.I.5
-
11
-
-
33745585810
-
Pneumococcal neuraminidases A and B both have essential roles during infection of the respiratory tract and sepsis
-
Manco, S. et al. Pneumococcal neuraminidases A and B both have essential roles during infection of the respiratory tract and sepsis. Infection and Immunity 74, 4014-4020, doi:10.1128/IAI.01237-05 (2006).
-
(2006)
Infection and Immunity
, vol.74
, pp. 4014-4020
-
-
Manco, S.1
-
12
-
-
0014104556
-
Neuraminidase Activities of Clinical Isolates of Diplococcus Pneumoniae
-
Kelly, R. T., Farmer, S. & Greif, D. Neuraminidase Activities of Clinical Isolates of Diplococcus Pneumoniae. Journal of Bacteriology 94, 272-& (1967).
-
(1967)
Journal of Bacteriology
, vol.94
, pp. 272
-
-
Kelly, R.T.1
Farmer, S.2
Greif, D.3
-
13
-
-
33646950675
-
Variation in the presence of neuraminidase genes among Streptococcus pneumoniae isolates with identical sequence types
-
Pettigrew, M. M., Fennie, K. P., York, M. P., Daniels, J. & Ghafar, F. Variation in the presence of neuraminidase genes among Streptococcus pneumoniae isolates with identical sequence types. Infection and Immunity 74, 3360-3365, doi: 10.1128/Iai.01442-05 (2006).
-
(2006)
Infection and Immunity
, vol.74
, pp. 3360-3365
-
-
Pettigrew, M.M.1
Fennie, K.P.2
York, M.P.3
Daniels, J.4
Ghafar, F.5
-
14
-
-
0024460246
-
Conserved Sequences in Bacterial and Viral Sialidases
-
Roggentin, P. et al. Conserved Sequences in Bacterial and Viral Sialidases. Glycoconjugate J 6, 349-353, doi: 10.1007/Bf01047853 (1989).
-
(1989)
Glycoconjugate J
, vol.6
, pp. 349-353
-
-
Roggentin, P.1
-
15
-
-
84954358046
-
Crystal Structure of the NanB Sialidase from Streptococcus pneumoniae
-
Xu, G. G. et al. Crystal Structure of the NanB Sialidase from Streptococcus pneumoniae. Journal of Molecular Biology 384, 436-449, doi: 10.1016/j.jmb.2008.09.032 (2008).
-
(2008)
Journal of Molecular Biology
, vol.384
, pp. 436-449
-
-
Xu, G.G.1
-
16
-
-
84899646103
-
Prevention of infuenza by targeting host receptors using engineered proteins
-
Connaris, H. et al. Prevention of infuenza by targeting host receptors using engineered proteins. Proc Natl Acad Sci USA 111, 6401-6406, doi: 10.1073/pnas.1404205111 (2014).
-
(2014)
Proc Natl Acad Sci USA
, vol.111
, pp. 6401-6406
-
-
Connaris, H.1
-
17
-
-
22544485354
-
NanA a neuraminidase from Streptococcus pneumoniae, shows high levels of sequence diversity, at least in part through recombination with Streptococcus oralis
-
King, S. J., Whatmore, A. M. & Dowson, C. G. NanA, a neuraminidase from Streptococcus pneumoniae, shows high levels of sequence diversity, at least in part through recombination with Streptococcus oralis. Journal of Bacteriology 187, 5376-5386, doi: 10.1128/Jb.187.15.5376-5386.2005 (2005).
-
(2005)
Journal of Bacteriology
, vol.187
, pp. 5376-5386
-
-
King, S.J.1
Whatmore, A.M.2
Dowson, C.G.3
-
18
-
-
84937943969
-
Natural transformation and genome evolution in Streptococcus pneumoniae
-
Straume, D., Stamsas, G. A. & Havarstein, L. S. Natural transformation and genome evolution in Streptococcus pneumoniae. Infect Genet Evol. doi: 10.1016/j.meegid.2014.10.020 (2014).
-
(2014)
Infect Genet Evol
-
-
Straume, D.1
Stamsas, G.A.2
Havarstein, L.S.3
-
19
-
-
65549102263
-
Sialic acid: A preventable signal for pneumococcal bioflm formation, colonization, and invasion of the host
-
Trappetti, C. et al. Sialic acid: a preventable signal for pneumococcal bioflm formation, colonization, and invasion of the host. J Infect Dis 199, 1497-1505, doi: 10.1086/598483 (2009).
-
(2009)
J Infect Dis
, vol.199
, pp. 1497-1505
-
-
Trappetti, C.1
-
20
-
-
69049109896
-
The NanA Neuraminidase of Streptococcus pneumoniae Is Involved in Bioflm Formation
-
Parker, D. et al. The NanA Neuraminidase of Streptococcus pneumoniae Is Involved in Bioflm Formation. Infection and Immunity 77, 3722-3730 (2009).
-
(2009)
Infection and Immunity
, vol.77
, pp. 3722-3730
-
-
Parker, D.1
-
21
-
-
0031048319
-
Infuenza neuraminidase inhibitors possessing a novel hydrophobic interaction in the enzyme active site: Design, syn
-
thesis, and structural analysis of carbocyclic sialic acid analogues with potent anti-infuenza activity
-
Kim, C. U. et al. Infuenza neuraminidase inhibitors possessing a novel hydrophobic interaction in the enzyme active site: design, synthesis, and structural analysis of carbocyclic sialic acid analogues with potent anti-infuenza activity. J Am Chem Soc 119, 681-690 (1997).
-
(1997)
J Am Chem Soc
, vol.119
, pp. 681-690
-
-
Kim, C.U.1
-
22
-
-
0027287506
-
Rational Design of Potent Sialidase-Based Inhibitors of Infuenza-Virus Replication
-
VonItzstein, M. et al. Rational Design of Potent Sialidase-Based Inhibitors of Infuenza-Virus Replication. Nature 363, 418-423, doi: 10.1038/363418a0 (1993).
-
(1993)
Nature
, vol.363
, pp. 418-423
-
-
VonItzstein, M.1
-
23
-
-
3242812828
-
Efect of antiviral treatment on the outcome of secondary bacterial pneumonia afer infuenza
-
McCullers, J. A. Efect of antiviral treatment on the outcome of secondary bacterial pneumonia afer infuenza. J Infect Dis 190, 519-526, doi: 10.1086/421525 (2004).
-
(2004)
J Infect Dis
, vol.190
, pp. 519-526
-
-
McCullers, J.A.1
-
24
-
-
84927712976
-
The effect of intravenous peramivir, compared with oral oseltamivir, on the outcome of post-influenza pneumococcal pneumonia in mice
-
Tanaka, A. et al. The effect of intravenous peramivir, compared with oral oseltamivir, on the outcome of post-influenza pneumococcal pneumonia in mice. Antiviral therapy 20, 11-19, doi: 10.3851/IMP2744 (2015).
-
(2015)
Antiviral Therapy
, vol.20
, pp. 11-19
-
-
Tanaka, A.1
-
25
-
-
79957703889
-
Structural Basis for Streptococcus pneumoniae NanA Inhibition by Infuenza Antivirals Zanamivir and Oseltamivir Carboxylate
-
Gut, H., Xu, G. G., Taylor, G. L. & Walsh, M. A. Structural Basis for Streptococcus pneumoniae NanA Inhibition by Infuenza Antivirals Zanamivir and Oseltamivir Carboxylate. Journal of Molecular Biology 409, 496-503 (2011).
-
(2011)
Journal of Molecular Biology
, vol.409
, pp. 496-503
-
-
Gut, H.1
Xu, G.G.2
Taylor, G.L.3
Walsh, M.A.4
-
26
-
-
84964799179
-
Antipneumococcal activity of neuraminidase inhibiting artocarpin
-
Walther, E. et al. Antipneumococcal activity of neuraminidase inhibiting artocarpin. Int J Med Microbiol 18, 00163-00165 (2014).
-
(2014)
Int J Med Microbiol
, vol.18
, pp. 00163-00165
-
-
Walther, E.1
-
27
-
-
79957613599
-
MEGA5: Molecular Evolutionary Genetics Analysis Using Maximum Likelihood, Evolutionary Distance, and Maximum Parsimony Methods
-
Tamura, K. et al. MEGA5: Molecular Evolutionary Genetics Analysis Using Maximum Likelihood, Evolutionary Distance, and Maximum Parsimony Methods. Mol Biol Evol 28, 2731-2739, doi: 10.1093/molbev/msr121 (2011).
-
(2011)
Mol Biol Evol
, vol.28
, pp. 2731-2739
-
-
Tamura, K.1
-
28
-
-
33845957666
-
Genome sequence of Avery's virulent serotype 2 strain D39 of Streptococcus pneumoniae and comparison with that of unencapsulated laboratory strain R6
-
Lanie, J. A. et al. Genome sequence of Avery's virulent serotype 2 strain D39 of Streptococcus pneumoniae and comparison with that of unencapsulated laboratory strain R6. J Bacteriol 189, 38-51, doi: 10.1128/Jb.01148-06 (2007).
-
(2007)
J Bacteriol
, vol.189
, pp. 38-51
-
-
Lanie, J.A.1
-
29
-
-
84983590161
-
Antipneumococcal activity of neuraminidase inhibiting artocarpin
-
Walther, E. et al. Antipneumococcal activity of neuraminidase inhibiting artocarpin. International journal of medical microbiology: IJMM 305, 289-297, doi: 10.1016/j.ijmm.2014.12.004 (2015).
-
(2015)
International Journal of Medical Microbiology: IJMM
, vol.305
, pp. 289-297
-
-
Walther, E.1
-
30
-
-
84923282216
-
Complementary Assays Helping to Overcome Challenges for Identifying Neuraminidase Inhibitors
-
Richter, M. et al. Complementary Assays Helping to Overcome Challenges for Identifying Neuraminidase Inhibitors. Future Virol 10, 77-88, doi: 10.2217/fvl.14.97 (2015).
-
(2015)
Future Virol
, vol.10
, pp. 77-88
-
-
Richter, M.1
-
31
-
-
51149114195
-
Structure of the catalytic domain of Streptococcus pneumoniae sialidase NanA
-
Xu, G. G., Li, X. J., Andrew, P. W. & Taylor, G. L. Structure of the catalytic domain of Streptococcus pneumoniae sialidase NanA. Acta Crystallographica Section F-Structural Biology and Crystallization Communications 64, 772-775 (2008).
-
(2008)
Acta Crystallographica Section F-Structural Biology and Crystallization Communications
, vol.64
, pp. 772-775
-
-
Xu, G.G.1
Li, X.J.2
Andrew, P.W.3
Taylor, G.L.4
-
32
-
-
84924412932
-
Independent Metrics for Protein Backbone and Side-Chain Flexibility: Time Scales and Efects of Ligand Binding
-
Fuchs, J. E. et al. Independent Metrics for Protein Backbone and Side-Chain Flexibility: Time Scales and Efects of Ligand Binding. J Chem Teory Comput 11, 851-860, doi: 10.1021/ct500633u (2015).
-
(2015)
J Chem Teory Comput
, vol.11
, pp. 851-860
-
-
Fuchs, J.E.1
-
33
-
-
84863564702
-
Pneumococcal neuraminidase A: An essential upper airway colonization factor for Streptococcus pneumoniae
-
Brittan, J. L., Buckeridge, T. J., Finn, A., Kadioglu, A. & Jenkinson, H. F. Pneumococcal neuraminidase A: an essential upper airway colonization factor for Streptococcus pneumoniae. Molecular Oral Microbiology 27, 270-283 (2012).
-
(2012)
Molecular Oral Microbiology
, vol.27
, pp. 270-283
-
-
Brittan, J.L.1
Buckeridge, T.J.2
Finn, A.3
Kadioglu, A.4
Jenkinson, H.F.5
-
34
-
-
40949162838
-
The role of Streptococcus pneumoniae virulence factors in host respiratory colonization and disease
-
Kadioglu, A., Weiser, J. N., Paton, J. C. & Andrew, P. W. The role of Streptococcus pneumoniae virulence factors in host respiratory colonization and disease. Nat Rev Microbiol 6, 288-301, doi: 10.1038/nrmicro1871 (2008).
-
(2008)
Nat Rev Microbiol
, vol.6
, pp. 288-301
-
-
Kadioglu, A.1
Weiser, J.N.2
Paton, J.C.3
Andrew, P.W.4
-
35
-
-
84884677083
-
Natural genetic transformation generates a population of merodiploids in Streptococcus pneumoniae
-
Johnston, C. et al. Natural genetic transformation generates a population of merodiploids in Streptococcus pneumoniae. PLos Genet 9, e1003819, doi: 10.1371/journal.pgen.1003819 (2013).
-
(2013)
PLos Genet
, vol.9
, pp. e1003819
-
-
Johnston, C.1
-
36
-
-
0037443951
-
Role of neuraminidase in lethal synergism between influenza virus and Streptococcus pneumoniae
-
McCullers, J. A. & Bartmess, K. C. Role of neuraminidase in lethal synergism between influenza virus and Streptococcus pneumoniae. J Infect Dis 187, 1000-1009, doi: 10.1086/368163 (2003).
-
(2003)
J Infect Dis
, vol.187
, pp. 1000-1009
-
-
McCullers, J.A.1
Bartmess, K.C.2
-
37
-
-
0028155903
-
Calcium Is Needed for the Termostability of Infuenza-B Virus Neuraminidase
-
Burmeister, W. P., Cusack, S. & Ruigrok, R. W. H. Calcium Is Needed for the Termostability of Infuenza-B Virus Neuraminidase. J Gen Virol 75, 381-388, doi: 10.1099/0022-1317-75-2-381 (1994).
-
(1994)
J Gen Virol
, vol.75
, pp. 381-388
-
-
Burmeister, W.P.1
Cusack, S.2
Ruigrok, R.W.H.3
-
38
-
-
0028773635
-
Crystal-Structure of Vibrio-Cholerae Neuraminidase Reveals Dual Lectin-Like Domains in Addition to the Catalytic Domain
-
Crennell, S., Garman, E., Laver, G., Vimr, E. & Taylor, G. Crystal-Structure of Vibrio-Cholerae Neuraminidase Reveals Dual Lectin-Like Domains in Addition to the Catalytic Domain. Structure 2, 535-544, doi: 10.1016/S0969-2126(00)00053-8 (1994).
-
(1994)
Structure
, vol.2
, pp. 535-544
-
-
Crennell, S.1
Garman, E.2
Laver, G.3
Vimr, E.4
Taylor, G.5
-
39
-
-
60549101305
-
Crystal structures of respiratory pathogen neuraminidases
-
Hsiao, Y. S., Parker, D., Ratner, A. J., Prince, A. & Tong, L. Crystal structures of respiratory pathogen neuraminidases. Biochemical and Biophysical Research Communications 380, 467-471 (2009).
-
(2009)
Biochemical and Biophysical Research Communications
, vol.380
, pp. 467-471
-
-
Hsiao, Y.S.1
Parker, D.2
Ratner, A.J.3
Prince, A.4
Tong, L.5
-
40
-
-
84908562562
-
Interface dynamics explain assembly dependency of infuenza neuraminidase catalytic activity
-
von Grafenstein, S. et al. Interface dynamics explain assembly dependency of infuenza neuraminidase catalytic activity. J Biomol Struct Dyn 33, 104-120, doi: 10.1080/07391102.2013.855142 (2015).
-
(2015)
J Biomol Struct Dyn
, vol.33
, pp. 104-120
-
-
Von Grafenstein, S.1
-
41
-
-
84868097065
-
Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases
-
Brear, P., Telford, J., Taylor, G. L. & Westwood, N. J. Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases. Chembiochem 13, 2374-2383, doi: 10.1002/cbic.201200433 (2012).
-
(2012)
Chembiochem
, vol.13
, pp. 2374-2383
-
-
Brear, P.1
Telford, J.2
Taylor, G.L.3
Westwood, N.J.4
-
42
-
-
46849105028
-
Ensemble-based virtual screening reveals potential novel antiviral compounds for avian infuenza neuraminidase
-
Cheng, L. S. et al. Ensemble-based virtual screening reveals potential novel antiviral compounds for avian infuenza neuraminidase. J Med Chem 51, 3878-3894, doi: 10.1021/jm8001197 (2008).
-
(2008)
J Med Chem
, vol.51
, pp. 3878-3894
-
-
Cheng, L.S.1
-
43
-
-
33748437791
-
The structure of H5N1 avian infuenza neuraminidase suggests new opportunities for drug design
-
Russell, R. J. et al. The structure of H5N1 avian infuenza neuraminidase suggests new opportunities for drug design. Nature 443, 45-49, doi: 10.1038/nature05114 (2006).
-
(2006)
Nature
, vol.443
, pp. 45-49
-
-
Russell, R.J.1
-
44
-
-
85009950121
-
Application of Computational Techniques in Pharmacy and Medicine
-
(eds Leonid Gorb, Victor Kuz'min & Eugene Muratov) Ch. 15 Springer Netherlands
-
von Grafenstein, S., Fuchs, J. E. & Liedl, K. R. In Application of Computational Techniques in Pharmacy and Medicine Vol. 17 Challenges and Advances in Computational Chemistry and Physics (eds Leonid Gorb, Victor Kuz'min & Eugene Muratov) Ch. 15, 501-538 (Springer Netherlands, 2014).
-
(2014)
Vol. 17 Challenges and Advances in Computational Chemistry and Physics
, pp. 501-538
-
-
Von Grafenstein, S.1
Fuchs, J.E.2
Liedl, K.R.3
-
45
-
-
62949085778
-
Pharmacokinetics of high-dose oseltamivir in healthy volunteers
-
Wattanagoon, Y. et al. Pharmacokinetics of high-dose oseltamivir in healthy volunteers. Antimicrob Agents Ch 53, 945-952, doi: 10.1128/AAC.00588-08 (2009).
-
(2009)
Antimicrob Agents Ch
, vol.53
, pp. 945-952
-
-
Wattanagoon, Y.1
-
46
-
-
77951214216
-
Detection of E119V and E119I Mutations in Influenza A (H3N2) Viruses Isolated from an Immunocompromised Patient: Challenges in Diagnosis of Oseltamivir Resistance
-
Okomo-Adhiambo, M. et al. Detection of E119V and E119I Mutations in Influenza A (H3N2) Viruses Isolated from an Immunocompromised Patient: Challenges in Diagnosis of Oseltamivir Resistance. Antimicrob Agents Ch 54, 1834-1841, doi: 10.1128/Aac.01608-09 (2010).
-
(2010)
Antimicrob Agents Ch
, vol.54
, pp. 1834-1841
-
-
Okomo-Adhiambo, M.1
-
47
-
-
84906998113
-
-
San Francisco CA: Universty of California San Francisco
-
Case, D. et al. AMBER12 and AMBERTOOLS13. San Francisco, CA: Universty of California San Francisco (2012).
-
(2012)
AMBER12 and AMBERTOOLS13
-
-
Case, D.1
-
48
-
-
84857463877
-
Systematic validation of protein force felds against experimental data
-
Lindorf-Larsen, K. et al. Systematic validation of protein force felds against experimental data. PLos One 7, e32131, doi: 10.1371/journal.pone.0032131 (2012).
-
(2012)
PLos One
, vol.7
, pp. e32131
-
-
Lindorf-Larsen, K.1
-
49
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water J
-
Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W. & Klein, M. L. Comparison of simple potential functions for simulating liquid water J. Chem. Phys. 79, 926, doi: 10.1063/1.445869 (1983).
-
(1983)
Chem. Phys.
, vol.79
, pp. 926
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
50
-
-
84908562562
-
Interface dynamics explain assembly dependency of infuenza neuraminidase catalytic activity
-
von Grafenstein, S. et al. Interface dynamics explain assembly dependency of infuenza neuraminidase catalytic activity. Journal of biomolecular structure & dynamics. doi: 10.1080/07391102.2013.855142 (2013).
-
(2013)
Journal of Biomolecular Structure & Dynamics
-
-
Von Grafenstein, S.1
-
51
-
-
84873719639
-
An overview of the Amber biomolecular simulation package
-
Salomon-Ferrer, R., Case, D. A. & Walker, R. C. An overview of the Amber biomolecular simulation package. Wiley Interdisciplinary Reviews: Computational Molecular Science 3, 198-210, doi: 10.1002/wcms.1121 (2013).
-
(2013)
Wiley Interdisciplinary Reviews: Computational Molecular Science
, vol.3
, pp. 198-210
-
-
Salomon-Ferrer, R.1
Case, D.A.2
Walker, R.C.3
-
52
-
-
77952914469
-
Stabilizing of a Globular Protein by a Highly Complex Water Network: A Molecular Dynamics Simulation Study on Factor Xa
-
Wallnoefer, H. G., Handschuh, S., Liedl, K. R. & Fox, T. Stabilizing of a Globular Protein by a Highly Complex Water Network: A Molecular Dynamics Simulation Study on Factor Xa. The Journal of Physical Chemistry B 114, 7405-7412, doi: 10.1021/jp101654g (2010).
-
(2010)
The Journal of Physical Chemistry B
, vol.114
, pp. 7405-7412
-
-
Wallnoefer, H.G.1
Handschuh, S.2
Liedl, K.R.3
Fox, T.4
-
53
-
-
84868699636
-
Application of a post-docking procedure based on MM-PBSA and MM-GBSA on single and multiple protein conformations
-
Sgobba, M., Caporuscio, F., Anighoro, A., Portioli, C. & Rastelli, G. Application of a post-docking procedure based on MM-PBSA and MM-GBSA on single and multiple protein conformations. European Journal of Medicinal Chemistry 58 431-40, doi: 10.1016/j. ejmech.2012.10.024 (2012).
-
(2012)
European Journal of Medicinal Chemistry
, vol.58
, pp. 431-440
-
-
Sgobba, M.1
Caporuscio, F.2
Anighoro, A.3
Portioli, C.4
Rastelli, G.5
-
54
-
-
84866167816
-
MMPBSA.py: An Efcient Program for End-State Free Energy Calculations
-
Miller, B. R. III et al. MMPBSA.py: An Efcient Program for End-State Free Energy Calculations. Journal of Chemical Teory and Computation 8 3314-3321, doi: 10.1021/ct300418h (2012).
-
(2012)
Journal of Chemical Teory and Computation
, vol.8
, pp. 3314-3321
-
-
Miller, B.R.1
|