-
1
-
-
84885146974
-
Insights into the mechanism of interaction between trehalose-conjugated beta-sheet breaker peptides and Aβ(1–42) fibrils by molecular dynamics simulations
-
Autiero, I., Langella, E., & Saviano, M., (2013). Insights into the mechanism of interaction between trehalose-conjugated beta-sheet breaker peptides and Aβ(1–42) fibrils by molecular dynamics simulations. Molecular BioSystems, 9, 2835–2841.10.1039/c3mb70235a
-
(2013)
Molecular BioSystems
, vol.9
, pp. 2835-2841
-
-
Autiero, I.1
Langella, E.2
Saviano, M.3
-
2
-
-
84925533256
-
Local and macroscopic electrostatic interactions in single α-helices
-
Baker, E. G., Bartlett, G. J., Crump, M. P., Sessions, R. B., Linden, N., Faul, C. F., & Woolfson, D. N., (2015). Local and macroscopic electrostatic interactions in single α-helices. Nature Chemical Biology, 11, 221–228.
-
(2015)
Nature Chemical Biology
, vol.11
, pp. 221-228
-
-
Baker, E.G.1
Bartlett, G.J.2
Crump, M.P.3
Sessions, R.B.4
Linden, N.5
Faul, C.F.6
Woolfson, D.N.7
-
3
-
-
34447297323
-
Energetics of protein folding
-
Baldwin, R. L., (2007). Energetics of protein folding. Journal of Molecular Biology, 371, 283–301.10.1016/j.jmb.2007.05.078
-
(2007)
Journal of Molecular Biology
, vol.371
, pp. 283-301
-
-
Baldwin, R.L.1
-
4
-
-
84939161696
-
Effect of graphene oxide on the conformational transitions of amyloid beta peptide: A molecular dynamics simulation study
-
Baweja, L., Balamurugan, K., Subramanian, V., & Dhawan, A., (2015). Effect of graphene oxide on the conformational transitions of amyloid beta peptide:A molecular dynamics simulation study. Journal of Molecular Graphics and Modelling, 61, 175–185.10.1016/j.jmgm.2015.07.007
-
(2015)
Journal of Molecular Graphics and Modelling
, vol.61
, pp. 175-185
-
-
Baweja, L.1
Balamurugan, K.2
Subramanian, V.3
Dhawan, A.4
-
5
-
-
0002775934
-
Interaction models for water in relation to protein hydration
-
Pullman B., (ed), Dordrecht: Reidel Publishing Company
-
Berendsen, H. J. C., Postma, J. P. M., van Gunsteren, W. F., & Hermans, J., (1981) Interaction models for water in relation to protein hydration. Pullman, B., (Ed.), Intermolecular forces (pp. 331–342). Dordrecht:Reidel Publishing Company.10.1007/978-94-015-7658-1
-
(1981)
Intermolecular forces
, pp. 331-342
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
van Gunsteren, W.F.3
Hermans, J.4
-
6
-
-
46749127364
-
Are current molecular dynamics force fields too helical?
-
Best, R. B., Buchete, N., & Hummer, G., (2008). Are current molecular dynamics force fields too helical? Biophysical Journal, 95, L07–L09.10.1529/biophysj.108.132696
-
(2008)
Biophysical Journal
, vol.95
, pp. L07-L09
-
-
Best, R.B.1
Buchete, N.2
Hummer, G.3
-
7
-
-
67649494492
-
Optimized molecular dynamics force fields applied to the helix−coil transition of polypeptides
-
Best, R. B., & Hummer, G., (2009). Optimized molecular dynamics force fields applied to the helix−coil transition of polypeptides. The Journal of Physical Chemistry B, 113, 9004–9015.10.1021/jp901540t
-
(2009)
The Journal of Physical Chemistry B
, vol.113
, pp. 9004-9015
-
-
Best, R.B.1
Hummer, G.2
-
8
-
-
0028893504
-
A single point chiral inversion that selforganizes a randomcoil peptide. Apolar solvent conformation of Boc-(L\D)-Glu-Ala-Leu-LysNHMe
-
Bobde, V., Beri, S., Rawale, S., Satyanarayana, C. V. V., & Durani, S., (1995). A single point chiral inversion that selforganizes a randomcoil peptide. Apolar solvent conformation of Boc-(L\D)-Glu-Ala-Leu-LysNHMe. Tetrahedron, 51, 3077–3086.10.1016/0040-4020(95)00047-C
-
(1995)
Tetrahedron
, vol.51
, pp. 3077-3086
-
-
Bobde, V.1
Beri, S.2
Rawale, S.3
Satyanarayana, C.V.V.4
Durani, S.5
-
9
-
-
0036280693
-
Protein and peptide folding explored with molecular simulations
-
Brooks, C. L., III (2002). Protein and peptide folding explored with molecular simulations. Accounts of Chemical Research, 35, 447–454.10.1021/ar0100172
-
(2002)
Accounts of Chemical Research
, vol.35
, pp. 447-454
-
-
Brooks, C.L.1
-
10
-
-
67650500988
-
CHARMM: The biomolecular simulation program
-
Brooks, B. R., Brooks, C. L., III, Mackerell, A. D., Nilsson, L., Petrella, R. J., Roux, B.,.. Karplus, M., (2009). CHARMM:The biomolecular simulation program. Journal of Computational Chemistry, 30, 1545–1614.10.1002/jcc.v30:10
-
(2009)
Journal of Computational Chemistry
, vol.30
, pp. 1545-1614
-
-
Brooks, B.R.1
Brooks, C.L.2
Mackerell, A.D.3
Nilsson, L.4
Petrella, R.J.5
Roux, B.6
Karplus, M.7
-
11
-
-
84879217292
-
Protein folding: A problem with multiple solutions
-
Bywater, R. P., (2013). Protein folding:A problem with multiple solutions. Journal of Biomolecular Structure and Dynamics, 31, 351–362.10.1080/07391102.2012.703062
-
(2013)
Journal of Biomolecular Structure and Dynamics
, vol.31
, pp. 351-362
-
-
Bywater, R.P.1
-
12
-
-
0028986379
-
Stability of alpha-helices
-
Chakrabartty, A., & Baldwin, R. L., (1995). Stability of alpha-helices. Advances in Protein Chemistry, 46, 141–176.10.1016/S0065-3233(08)60334-4
-
(1995)
Advances in Protein Chemistry
, vol.46
, pp. 141-176
-
-
Chakrabartty, A.1
Baldwin, R.L.2
-
13
-
-
84896719732
-
Construction of an intermediate-resolution lattice model and re-examination of the helix-coil transition: A dynamic Monte Carlo simulation
-
Chen, Y., & Ding, J., (2014). Construction of an intermediate-resolution lattice model and re-examination of the helix-coil transition:A dynamic Monte Carlo simulation. Journal of Biomolecular Structure and Dynamics, 32, 792–803.10.1080/07391102.2013.791645
-
(2014)
Journal of Biomolecular Structure and Dynamics
, vol.32
, pp. 792-803
-
-
Chen, Y.1
Ding, J.2
-
14
-
-
0015987426
-
Prediction of protein conformation
-
Chou, P. Y., & Fasman, G. D., (1974). Prediction of protein conformation. Biochemistry, 13, 222–245.10.1021/bi00699a002
-
(1974)
Biochemistry
, vol.13
, pp. 222-245
-
-
Chou, P.Y.1
Fasman, G.D.2
-
15
-
-
84925275020
-
New insights into protein (Un)folding dynamics
-
Cote, Y., Maisuradze, G. G., Delarue, P., Scheraga, H. A., & Senet, P., (2015). New insights into protein (Un)folding dynamics. The Journal of Physical Chemistry Letters, 6, 1082–1086.10.1021/acs.jpclett.5b00055
-
(2015)
The Journal of Physical Chemistry Letters
, vol.6
, pp. 1082-1086
-
-
Cote, Y.1
Maisuradze, G.G.2
Delarue, P.3
Scheraga, H.A.4
Senet, P.5
-
16
-
-
84908593988
-
Molecular dynamics and docking simulation of a natural variant of Activated Protein C with impaired protease activity: Implications for integrin-mediated antiseptic function
-
D’Ursi, P., Orro, A., Morra, G., Moscatelli, M., Trombetti, G., Milanesi, L., & Rovida, E., (2015). Molecular dynamics and docking simulation of a natural variant of Activated Protein C with impaired protease activity:Implications for integrin-mediated antiseptic function. Journal of Biomolecular Structure and Dynamics, 33, 85–92.10.1080/07391102.2013.851033
-
(2015)
Journal of Biomolecular Structure and Dynamics
, vol.33
, pp. 85-92
-
-
D’Ursi, P.1
Orro, A.2
Morra, G.3
Moscatelli, M.4
Trombetti, G.5
Milanesi, L.6
Rovida, E.7
-
17
-
-
33645891439
-
The importance of cooperative interactions and a solid-state paradigm to proteins: What Peptide chemists can learn from molecular crystals
-
Dannenberg, J. J., (2005). The importance of cooperative interactions and a solid-state paradigm to proteins:What Peptide chemists can learn from molecular crystals. Advances in Protein Chemistry, 72, 227–273.10.1016/S0065-3233(05)72009-X
-
(2005)
Advances in Protein Chemistry
, vol.72
, pp. 227-273
-
-
Dannenberg, J.J.1
-
18
-
-
33846823909
-
Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems
-
Darden, T., York, D., & Pedersen, L., (1993). Particle mesh Ewald:An N⋅log(N) method for Ewald sums in large systems. The Journal of Chemical Physics, 98, 10089–10092.10.1063/1.464397
-
(1993)
The Journal of Chemical Physics
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
19
-
-
0033556236
-
Peptide folding: When simulation meets experiment
-
Daura, X., Gademann, K., Jaun, B., Seebach, D., van Gunsteren, W. F., & Mark, A. E., (1999). Peptide folding:When simulation meets experiment. Angewandte Chemie International Edition, 38, 236–240.10.1002/(ISSN)1521-3773
-
(1999)
Angewandte Chemie International Edition
, vol.38
, pp. 236-240
-
-
Daura, X.1
Gademann, K.2
Jaun, B.3
Seebach, D.4
van Gunsteren, W.F.5
Mark, A.E.6
-
20
-
-
84937513774
-
Structural development of stabilized helical peptides as inhibitors of estrogen receptor (ER)-mediated transcription
-
Demizu, Y., Misawa, T., Nagakubo, T., Kanda, Y., Okuhira, K., Sekino, Y., … Kurihara, M., (2015). Structural development of stabilized helical peptides as inhibitors of estrogen receptor (ER)-mediated transcription. Bioorganic & Medicinal Chemistry, 23, 4132–4138.
-
(2015)
Bioorganic & Medicinal Chemistry
, vol.23
, pp. 4132-4138
-
-
Demizu, Y.1
Misawa, T.2
Nagakubo, T.3
Kanda, Y.4
Okuhira, K.5
Sekino, Y.6
Kurihara, M.7
-
22
-
-
84939260648
-
Antimicrobial activity of doubly-stapled alanine/lysine-based peptides
-
Dinh, T. T., Kim, D. H., Luong, H. X., Lee, B. J., & Kim, Y. W., (2015). Antimicrobial activity of doubly-stapled alanine/lysine-based peptides. Bioorganic & Medicinal Chemistry Letters, 25, 4016–4019.
-
(2015)
Bioorganic & Medicinal Chemistry Letters
, vol.25
, pp. 4016-4019
-
-
Dinh, T.T.1
Kim, D.H.2
Luong, H.X.3
Lee, B.J.4
Kim, Y.W.5
-
23
-
-
0242663237
-
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations
-
Duan, Y., Wu, C., Chowdhury, S., Lee, M. C., Xiong, G., Zhang, W., … Kollman, P., (2003). A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations. Journal of Computational Chemistry, 16, 1999–2012.10.1002/(ISSN)1096-987X
-
(2003)
Journal of Computational Chemistry
, vol.16
, pp. 1999-2012
-
-
Duan, Y.1
Wu, C.2
Chowdhury, S.3
Lee, M.C.4
Xiong, G.5
Zhang, W.6
Kollman, P.7
-
24
-
-
57349150772
-
Protein design with l - and d -α-amino acid structures as the alphabet
-
Durani, S., (2008). Protein design with l - and d -α-amino acid structures as the alphabet. Accounts of Chemical Research, 41, 1301–1308.10.1021/ar700265t
-
(2008)
Accounts of Chemical Research
, vol.41
, pp. 1301-1308
-
-
Durani, S.1
-
25
-
-
0034956543
-
Electronic properties of the amino acid side chains contribute to the structural preferences in protein folding
-
Dwyer, D. S., (2001). Electronic properties of the amino acid side chains contribute to the structural preferences in protein folding. Journal of Biomolecular Structure and Dynamics, 18, 881–892.10.1080/07391102.2001.10506715
-
(2001)
Journal of Biomolecular Structure and Dynamics
, vol.18
, pp. 881-892
-
-
Dwyer, D.S.1
-
27
-
-
84909606742
-
The nature of protein folding pathways
-
Englander, S. W., & Mayne, L., (2014). The nature of protein folding pathways. Proceedings of the National Academy of Sciences, 111, 15873–15880.10.1073/pnas.1411798111
-
(2014)
Proceedings of the National Academy of Sciences
, vol.111
, pp. 15873-15880
-
-
Englander, S.W.1
Mayne, L.2
-
28
-
-
33645961739
-
A smooth particle mesh Ewald method
-
Essmann, U., Perera, L., Berkowitz, M. L., Darden, T., Lee, H., & Pedersen, L. G., (1995). A smooth particle mesh Ewald method. The Journal of Chemical Physics, 103, 8577–8593.10.1063/1.470117
-
(1995)
The Journal of Chemical Physics
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
29
-
-
80052047442
-
Stabilized helical peptides: Overview of the technologies and therapeutic promises
-
Estieu-Gionnet, K., & Guichard, G., (2011). Stabilized helical peptides:Overview of the technologies and therapeutic promises. Expert Opinion on Drug Discovery, 6, 937–963.10.1517/17460441.2011.603723
-
(2011)
Expert Opinion on Drug Discovery
, vol.6
, pp. 937-963
-
-
Estieu-Gionnet, K.1
Guichard, G.2
-
30
-
-
1542468104
-
Configurationally guided peptide conformational motifs. Crystal structure of a LDLDDL type hexapeptide fold
-
Fabiola, F., Pattabhi, V., Rawale, S., Raju, E. B., & Durani, S., (1997). Configurationally guided peptide conformational motifs. Crystal structure of a LDLDDL type hexapeptide fold. Chemical Communications, 15, 1379–1380.10.1039/a702562i
-
(1997)
Chemical Communications
, vol.15
, pp. 1379-1380
-
-
Fabiola, F.1
Pattabhi, V.2
Rawale, S.3
Raju, E.B.4
Durani, S.5
-
32
-
-
0014212608
-
Dipole moments in relation to configuration of polypeptide chains
-
Flory, P. J., & Schimmel, P. R., (1967). Dipole moments in relation to configuration of polypeptide chains. Journal of the American Chemical Society, 89, 6807–6813.10.1021/ja01002a001
-
(1967)
Journal of the American Chemical Society
, vol.89
, pp. 6807-6813
-
-
Flory, P.J.1
Schimmel, P.R.2
-
33
-
-
79960203771
-
A comparative study for molecular dynamics simulations of liquid benzene
-
Fu, C., & Tian, S. X., (2011). A comparative study for molecular dynamics simulations of liquid benzene. Journal of Chemical Theory and Computation, 7, 2240–2252.10.1021/ct2002122
-
(2011)
Journal of Chemical Theory and Computation
, vol.7
, pp. 2240-2252
-
-
Fu, C.1
Tian, S.X.2
-
34
-
-
67650340734
-
Localized thermodynamic coupling between hydrogen bonding and microenvironment polarity substantially stabilizes proteins
-
Gao, J., Bosco, D. A., Powers, E. T., & Kelly, J. W., (2009). Localized thermodynamic coupling between hydrogen bonding and microenvironment polarity substantially stabilizes proteins. Nature Structural & Molecular Biology, 16, 684–690.
-
(2009)
Nature Structural & Molecular Biology
, vol.16
, pp. 684-690
-
-
Gao, J.1
Bosco, D.A.2
Powers, E.T.3
Kelly, J.W.4
-
35
-
-
84930653135
-
Correct folding of an α-helix and a β-hairpin using a polarized 2D torsional potential
-
10359
-
Gao, Y., Li, Y., Mou, L., Lin, B., Zhang, J. Z. H., & Mei, Y., (2015). Correct folding of an α-helix and a β-hairpin using a polarized 2D torsional potential. Scientific Reports, 5. Article id:10359.10.1038/srep10359
-
(2015)
Scientific Reports
, vol.5
-
-
Gao, Y.1
Li, Y.2
Mou, L.3
Lin, B.4
Zhang, J.Z.H.5
Mei, Y.6
-
36
-
-
33846783019
-
Structure and dynamics of the homologous series of alanine peptides: A joint molecular dynamics/NMR study
-
Graf, J., Nguyen, P. H., Stock, G., & Schwalbe, H., (2007). Structure and dynamics of the homologous series of alanine peptides:A joint molecular dynamics/NMR study. Journal of the American Chemical Society, 129, 1179–1189.10.1021/ja0660406
-
(2007)
Journal of the American Chemical Society
, vol.129
, pp. 1179-1189
-
-
Graf, J.1
Nguyen, P.H.2
Stock, G.3
Schwalbe, H.4
-
37
-
-
0031705760
-
Simulated annealing for alpha-helical protein folding: Searches in vicinity of the “molten globule” state
-
Grigoriev, I. V., Rakhmaninova, A. B., & Mironov, A. A., (1998). Simulated annealing for alpha-helical protein folding:Searches in vicinity of the “molten globule” state. Journal of Biomolecular Structure and Dynamics, 16, 115–122.10.1080/07391102.1998.10508232
-
(1998)
Journal of Biomolecular Structure and Dynamics
, vol.16
, pp. 115-122
-
-
Grigoriev, I.V.1
Rakhmaninova, A.B.2
Mironov, A.A.3
-
38
-
-
84953246937
-
Nascent peptide assists the ribosome in recognizing chemically distinct small molecules
-
Gupta, P., Liu, B., Klepacki, D., Gupta, V., Schulten, K., Mankin, A. S., & Vázquez-Laslop, N., (2016). Nascent peptide assists the ribosome in recognizing chemically distinct small molecules. Nature Chemical Biology, 12, 153–158.10.1038/nchembio.1998
-
(2016)
Nature Chemical Biology
, vol.12
, pp. 153-158
-
-
Gupta, P.1
Liu, B.2
Klepacki, D.3
Gupta, V.4
Schulten, K.5
Mankin, A.S.6
Vázquez-Laslop, N.7
-
39
-
-
84934440741
-
Comparison of protein force fields for molecular dynamics simulations
-
Guvench, O., & MacKerell, A. D., Jr. (2008). Comparison of protein force fields for molecular dynamics simulations. Methods in Molecular Biology, 443, 63–88.10.1007/978-1-59745-177-2
-
(2008)
Methods in Molecular Biology
, vol.443
, pp. 63-88
-
-
Guvench, O.1
MacKerell, A.D.2
-
40
-
-
33748518255
-
Comparison of multiple Amber force fields and development of improved protein backbone parameters
-
Hornak, V., Abel, R., Okur, A., Strockbine, B., Roitberg, A., & Simmerling, C., (2006). Comparison of multiple Amber force fields and development of improved protein backbone parameters. Proteins:Structure, Function, and Bioinformatics, 65, 712–725.10.1002/prot.v65:3
-
(2006)
Proteins: Structure, Function, and Bioinformatics
, vol.65
, pp. 712-725
-
-
Hornak, V.1
Abel, R.2
Okur, A.3
Strockbine, B.4
Roitberg, A.5
Simmerling, C.6
-
41
-
-
84924993833
-
Alpha-helical cationic anticancer peptides: A promising candidate for novel anticancer drugs
-
Huang, Y., Feng, Q., Yan, Q., Hao, X., & Chen, Y., (2015). Alpha-helical cationic anticancer peptides:A promising candidate for novel anticancer drugs. Mini Reviews in Medicinal Chemistry, 15, 73–81.10.2174/1389557514666141107120954
-
(2015)
Mini Reviews in Medicinal Chemistry
, vol.15
, pp. 73-81
-
-
Huang, Y.1
Feng, Q.2
Yan, Q.3
Hao, X.4
Chen, Y.5
-
42
-
-
84907368268
-
Induction of peptide bond dipoles drives cooperative helix formation in the (AAQAA)3 peptide
-
Huang, J., & MacKerell, A. D., Jr. (2014). Induction of peptide bond dipoles drives cooperative helix formation in the (AAQAA)3 peptide. Biophysical Journal, 107, 991–997.10.1016/j.bpj.2014.06.038
-
(2014)
Biophysical Journal
, vol.107
, pp. 991-997
-
-
Huang, J.1
MacKerell, A.D.2
-
43
-
-
0037434686
-
Density functional theory study of the cooperativity of hydrogen bonds in finite and infinite α-helices
-
Ireta, J., Neugebauer, J., Scheffler, M., Rojo, A., & Galván, M., (2003). Density functional theory study of the cooperativity of hydrogen bonds in finite and infinite α-helices. The Journal of Physical Chemistry B, 107, 1432–1437.10.1021/jp026848m
-
(2003)
The Journal of Physical Chemistry B
, vol.107
, pp. 1432-1437
-
-
Ireta, J.1
Neugebauer, J.2
Scheffler, M.3
Rojo, A.4
Galván, M.5
-
44
-
-
79958850459
-
Microsecond scale replica exchange molecular dynamic simulation of villin headpiece: An insight into the folding landscape
-
Jani, V., Sonavane, U. B., & Joshi, R., (2011). Microsecond scale replica exchange molecular dynamic simulation of villin headpiece:An insight into the folding landscape. Journal of Biomolecular Structure and Dynamics, 28, 845–860.10.1080/07391102.2011.10508612
-
(2011)
Journal of Biomolecular Structure and Dynamics
, vol.28
, pp. 845-860
-
-
Jani, V.1
Sonavane, U.B.2
Joshi, R.3
-
45
-
-
84863651699
-
Computer simulations of helix folding in homo- and heteropeptides
-
Jas, G. S., & Kuczera, K., (2012). Computer simulations of helix folding in homo- and heteropeptides. Molecular Simulation, 38, 682–694.10.1080/08927022.2012.671941
-
(2012)
Molecular Simulation
, vol.38
, pp. 682-694
-
-
Jas, G.S.1
Kuczera, K.2
-
47
-
-
84882403138
-
Protein folding: Interplay of hydrophobic–hydrophilic forces?
-
Joshi, R. R., (2013). Protein folding:Interplay of hydrophobic–hydrophilic forces? Journal of Biomolecular Structure and Dynamics, 31, 965–966.10.1080/07391102.2012.748530
-
(2013)
Journal of Biomolecular Structure and Dynamics
, vol.31
, pp. 965-966
-
-
Joshi, R.R.1
-
48
-
-
0029758829
-
A designed beta-hairpin peptide in crystals
-
Karle, I. L., Awasthi, S. K., & Balaram, P., (1996). A designed beta-hairpin peptide in crystals. Proceedings of the National Academy of Sciences, 93, 8189–8193.10.1073/pnas.93.16.8189
-
(1996)
Proceedings of the National Academy of Sciences
, vol.93
, pp. 8189-8193
-
-
Karle, I.L.1
Awasthi, S.K.2
Balaram, P.3
-
49
-
-
84947486893
-
Designing α-helical peptides with enhanced synergism and selectivity against Mycobacterium smegmatis: Discerning the role of hydrophobicity and helicity
-
Khara, J. S., Lim, F. K., Wang, Y., Ke, X. Y., Voo, Z. X., Yang, Y. Y., … Ee, P. L., (2015). Designing α-helical peptides with enhanced synergism and selectivity against Mycobacterium smegmatis:Discerning the role of hydrophobicity and helicity. Acta Biomaterialia, 28, 99–108.10.1016/j.actbio.2015.09.015
-
(2015)
Acta Biomaterialia
, vol.28
, pp. 99-108
-
-
Khara, J.S.1
Lim, F.K.2
Wang, Y.3
Ke, X.Y.4
Voo, Z.X.5
Yang, Y.Y.6
Ee, P.L.7
-
50
-
-
0347578256
-
Cooperativity in amide hydrogen bonding chains. Relation between energy, position, and H-bond chain length in peptide and protein folding models
-
Kobko, N., & Dannenberg, J. J., (2003). Cooperativity in amide hydrogen bonding chains. Relation between energy, position, and H-bond chain length in peptide and protein folding models. The Journal of Physical Chemistry A, 107, 10389–10395.10.1021/jp0365209
-
(2003)
The Journal of Physical Chemistry A
, vol.107
, pp. 10389-10395
-
-
Kobko, N.1
Dannenberg, J.J.2
-
51
-
-
72949123785
-
Homochiral stereochemistry: The missing link of structure to energetics in protein folding
-
Kumar, A., Ramakrishnan, V., Ranbhor, R., Patel, K., & Durani, S., (2009). Homochiral stereochemistry:The missing link of structure to energetics in protein folding. The Journal of Physical Chemistry B, 113, 16435–16442.10.1021/jp906811k
-
(2009)
The Journal of Physical Chemistry B
, vol.113
, pp. 16435-16442
-
-
Kumar, A.1
Ramakrishnan, V.2
Ranbhor, R.3
Patel, K.4
Durani, S.5
-
52
-
-
84975862390
-
Molecular insight into amyloid oligomer destabilizing mechanism of flavonoid derivative 2-(4′ benzyloxyphenyl)-3-hydroxy-chromen-4-one through docking and molecular dynamics simulations
-
Kumar, A., Srivastava, S., Tripathi, S., Singh, S. K., Srikrishna, S., & Sharma, A., (2016). Molecular insight into amyloid oligomer destabilizing mechanism of flavonoid derivative 2-(4′ benzyloxyphenyl)-3-hydroxy-chromen-4-one through docking and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics, 34, 1252–1263.10.1080/07391102.2015.1074943
-
(2016)
Journal of Biomolecular Structure and Dynamics
, vol.34
, pp. 1252-1263
-
-
Kumar, A.1
Srivastava, S.2
Tripathi, S.3
Singh, S.K.4
Srikrishna, S.5
Sharma, A.6
-
53
-
-
85008490070
-
Investigation of the effect of erythrosine B on amyloid beta peptide using molecular modeling
-
Lee, J., Kwon, I., Jang, S. S., & Cho, A. E., (2016). Investigation of the effect of erythrosine B on amyloid beta peptide using molecular modeling. Journal of Molecular Modeling, 22, 92.10.1007/s00894-016-2960-x
-
(2016)
Journal of Molecular Modeling
, vol.22
, pp. 92
-
-
Lee, J.1
Kwon, I.2
Jang, S.S.3
Cho, A.E.4
-
54
-
-
0000333671
-
On the theory of helix-coil transition in polypeptides
-
Lifson, S., & Roig, A., (1961). On the theory of helix-coil transition in polypeptides. The Journal of Chemical Physics, 34, 1963–1974.10.1063/1.1731802
-
(1961)
The Journal of Chemical Physics
, vol.34
, pp. 1963-1974
-
-
Lifson, S.1
Roig, A.2
-
55
-
-
0035789518
-
GROMACS 3.0: A package for molecular simulation and trajectory analysis
-
Lindahl, E., Hess, B., & van der Spoel, D., (2001). GROMACS 3.0:A package for molecular simulation and trajectory analysis. Journal of Molecular Modeling, 7, 306–317.
-
(2001)
Journal of Molecular Modeling
, vol.7
, pp. 306-317
-
-
Lindahl, E.1
Hess, B.2
van der Spoel, D.3
-
56
-
-
84937605334
-
Helix stability of oligoglycine, oligoalanine, and oligo-β-alanine dodecamers reflected by hydrogen-bond persistence
-
Liu, C., Ponder, J. W., & Marshall, G. R., (2014). Helix stability of oligoglycine, oligoalanine, and oligo-β-alanine dodecamers reflected by hydrogen-bond persistence. Proteins:Structure, Function, and Bioinformatics, 82, 3043–3061.10.1002/prot.v82.11
-
(2014)
Proteins: Structure, Function, and Bioinformatics
, vol.82
, pp. 3043-3061
-
-
Liu, C.1
Ponder, J.W.2
Marshall, G.R.3
-
57
-
-
84856226996
-
Like-charged residues at the ends of oligoalanine sequences might induce a chain reversal
-
Makowska, J., Liwo, A., Zmudzinska, W., Lewandowska, A., Chmurzynski, L., & Scheraga, H. A., (2011). Like-charged residues at the ends of oligoalanine sequences might induce a chain reversal. Biopolymers, 97, 240–249.
-
(2011)
Biopolymers
, vol.97
, pp. 240-249
-
-
Makowska, J.1
Liwo, A.2
Zmudzinska, W.3
Lewandowska, A.4
Chmurzynski, L.5
Scheraga, H.A.6
-
58
-
-
32444434361
-
Polyproline II conformation is one of many local conformational states and is not an overall conformation of unfolded peptides and proteins
-
Makowska, J., Rodziewicz-Motowidlo, S., Baginska, K., Vila, J. A., Liwo, A., Chmurzynski, L., & Scheraga, H. A., (2006). Polyproline II conformation is one of many local conformational states and is not an overall conformation of unfolded peptides and proteins. Proceedings of the National Academy of Sciences, 103, 1744–1749.10.1073/pnas.0510549103
-
(2006)
Proceedings of the National Academy of Sciences
, vol.103
, pp. 1744-1749
-
-
Makowska, J.1
Rodziewicz-Motowidlo, S.2
Baginska, K.3
Vila, J.A.4
Liwo, A.5
Chmurzynski, L.6
Scheraga, H.A.7
-
59
-
-
0024707204
-
Unusually stable helix formation in short alanine-based peptides
-
Marqusee, S., Robbins, V. H., & Baldwin, R. L., (1989). Unusually stable helix formation in short alanine-based peptides. Proceedings of the National Academy of Sciences, 86, 5286–5290.10.1073/pnas.86.14.5286
-
(1989)
Proceedings of the National Academy of Sciences
, vol.86
, pp. 5286-5290
-
-
Marqusee, S.1
Robbins, V.H.2
Baldwin, R.L.3
-
60
-
-
84955506599
-
Characterizing the conformational landscape of flavivirus fusion peptides via simulation and experiment
-
19160
-
Marzinek, J. K., Lakshminarayanan, R., Goh, E., Huber, R. G., Panzade, S., Verma, C., & Bond, P. J., (2016). Characterizing the conformational landscape of flavivirus fusion peptides via simulation and experiment. Scientific Reports, 6. Article id:19160.10.1038/srep19160
-
(2016)
Scientific Reports
, vol.6
-
-
Marzinek, J.K.1
Lakshminarayanan, R.2
Goh, E.3
Huber, R.G.4
Panzade, S.5
Verma, C.6
Bond, P.J.7
-
61
-
-
84969204009
-
Functionalized α-helical peptide hydrogels for neural tissue engineering
-
Mehrban, N., Zhu, B., Tamagnini, F., Young, F. I., Wasmuth, A., Hudson, K. L., … Woolfson, D. N., (2015). Functionalized α-helical peptide hydrogels for neural tissue engineering. ACS Biomaterials Science & Engineering, 1, 431–439.
-
(2015)
ACS Biomaterials Science & Engineering
, vol.1
, pp. 431-439
-
-
Mehrban, N.1
Zhu, B.2
Tamagnini, F.3
Young, F.I.4
Wasmuth, A.5
Hudson, K.L.6
Woolfson, D.N.7
-
62
-
-
84925883809
-
Synthesis of hydrogen-bond surrogate α-helices as inhibitors of protein–protein interactions
-
Miller, S. E., Thomson, P. F., & Arora, P. S., (2014). Synthesis of hydrogen-bond surrogate α-helices as inhibitors of protein–protein interactions. Current Protocols in Chemical Biololgy, 6, 101–116.10.1002/9780470559277.ch130202
-
(2014)
Current Protocols in Chemical Biololgy
, vol.6
, pp. 101-116
-
-
Miller, S.E.1
Thomson, P.F.2
Arora, P.S.3
-
63
-
-
84899011072
-
Computational and experimental studies on β-sheet breakers targeting Aβ1-40 fibrils
-
Minicozzi, V., Chiaraluce, R., Consalvi, V., Giordano, C., Narcisi, C., Punzi, P., … Morante, S., (2014). Computational and experimental studies on β-sheet breakers targeting Aβ1-40 fibrils. Journal of Biological Chemistry, 289, 11242–11252.10.1074/jbc.M113.537472
-
(2014)
Journal of Biological Chemistry
, vol.289
, pp. 11242-11252
-
-
Minicozzi, V.1
Chiaraluce, R.2
Consalvi, V.3
Giordano, C.4
Narcisi, C.5
Punzi, P.6
Morante, S.7
-
65
-
-
0033730431
-
The Flory isolated-pair hypothesis is not valid for polypeptide chains: Implications for protein folding
-
Pappu, R. V., Srinivasan, R., & Rose, G. D., (2000). The Flory isolated-pair hypothesis is not valid for polypeptide chains:Implications for protein folding. Proceedings of the National Academy of Sciences, 97, 12565–12570.10.1073/pnas.97.23.12565
-
(2000)
Proceedings of the National Academy of Sciences
, vol.97
, pp. 12565-12570
-
-
Pappu, R.V.1
Srinivasan, R.2
Rose, G.D.3
-
66
-
-
76549238253
-
The pleated sheet, a new layer configuration of polypeptide chains
-
Pauling, L., & Corey, R. B., (1951). The pleated sheet, a new layer configuration of polypeptide chains. Proceedings of the National Academy of Sciences, 37, 251–256.10.1073/pnas.37.5.251
-
(1951)
Proceedings of the National Academy of Sciences
, vol.37
, pp. 251-256
-
-
Pauling, L.1
Corey, R.B.2
-
67
-
-
84937518958
-
Structure-based design of inhibitors of protein–protein interactions: Mimicking peptide binding epitopes
-
Pelay-Gimeno, M., Glas, A., Koch, O., & Grossmann, T. N., (2015). Structure-based design of inhibitors of protein–protein interactions:Mimicking peptide binding epitopes. Angewandte Chemie International Edition, 54, 8896–8927.10.1002/anie.201412070
-
(2015)
Angewandte Chemie International Edition
, vol.54
, pp. 8896-8927
-
-
Pelay-Gimeno, M.1
Glas, A.2
Koch, O.3
Grossmann, T.N.4
-
68
-
-
84886992339
-
Ultrafast folding and molecular dynamics of a linear hydrophobic β-hairpin
-
Raghavender, U. S., (2013). Ultrafast folding and molecular dynamics of a linear hydrophobic β-hairpin. Journal of Biomolecular Structure and Dynamics, 31, 1404–1410.10.1080/07391102.2012.738612
-
(2013)
Journal of Biomolecular Structure and Dynamics
, vol.31
, pp. 1404-1410
-
-
Raghavender, U.S.1
-
69
-
-
0014381393
-
Conformation of polypeptides and proteins
-
Ramachandran, G. N., & Sasisekharan, V., (1968). Conformation of polypeptides and proteins. Advances in Protein Chemistry, 23, 283–437.10.1016/S0065-3233(08)60402-7
-
(1968)
Advances in Protein Chemistry
, vol.23
, pp. 283-437
-
-
Ramachandran, G.N.1
Sasisekharan, V.2
-
70
-
-
33947212270
-
Effects of As(III) binding on β-hairpin structure
-
Ramadan, D., Cline, D. J., Bai, S., Thorpe, C., & Schneider, J. P., (2007). Effects of As(III) binding on β-hairpin structure. Journal of the American Chemical Society, 129, 2981–2988.10.1021/ja067068k
-
(2007)
Journal of the American Chemical Society
, vol.129
, pp. 2981-2988
-
-
Ramadan, D.1
Cline, D.J.2
Bai, S.3
Thorpe, C.4
Schneider, J.P.5
-
71
-
-
11444269715
-
Existence of specific “folds” in polyproline II ensembles of an “unfolded” alanine peptide detected by molecular dynamics
-
Ramakrishnan, V., Ranbhor, R., & Durani, S., (2004). Existence of specific “folds” in polyproline II ensembles of an “unfolded” alanine peptide detected by molecular dynamics. Journal of the American Chemical Society, 126, 16332–16333.10.1021/ja045787y
-
(2004)
Journal of the American Chemical Society
, vol.126
, pp. 16332-16333
-
-
Ramakrishnan, V.1
Ranbhor, R.2
Durani, S.3
-
72
-
-
33744822163
-
The link between sequence and conformation in protein structures appears to be stereochemically established
-
Ramakrishnan, V., Ranbhor, R., Kumar, A., & Durani, S., (2006). The link between sequence and conformation in protein structures appears to be stereochemically established. The Journal of Physical Chemistry B, 110, 9314–9323.10.1021/jp056417e
-
(2006)
The Journal of Physical Chemistry B
, vol.110
, pp. 9314-9323
-
-
Ramakrishnan, V.1
Ranbhor, R.2
Kumar, A.3
Durani, S.4
-
73
-
-
33845197716
-
The interplay of sequence and stereochemistry in defining conformation in proteins and polypeptides
-
Ranbhor, R., Ramakrishnan, V., Kumar, A., & Durani, S., (2006). The interplay of sequence and stereochemistry in defining conformation in proteins and polypeptides. Biopolymers, 83, 537–545.10.1002/(ISSN)1097-0282
-
(2006)
Biopolymers
, vol.83
, pp. 537-545
-
-
Ranbhor, R.1
Ramakrishnan, V.2
Kumar, A.3
Durani, S.4
-
74
-
-
84878012857
-
Peptide folding problem: A molecular dynamics study on polyalanines using different force fields
-
Raucci, R., Colonna, G., Castello, G., & Costantini, S., (2013). Peptide folding problem:A molecular dynamics study on polyalanines using different force fields. International Journal of Peptide Research and Therapeutics, 19, 117–123.10.1007/s10989-012-9322-z
-
(2013)
International Journal of Peptide Research and Therapeutics
, vol.19
, pp. 117-123
-
-
Raucci, R.1
Colonna, G.2
Castello, G.3
Costantini, S.4
-
75
-
-
0021779081
-
Turns in peptides and proteins
-
Rose, G. D., Gierasch, L. M., & Smith, J. A., (1985). Turns in peptides and proteins. Advances in Protein Chemistry, 37, 1–109.10.1016/S0065-3233(08)60063-7
-
(1985)
Advances in Protein Chemistry
, vol.37
, pp. 1-109
-
-
Rose, G.D.1
Gierasch, L.M.2
Smith, J.A.3
-
76
-
-
84958817990
-
Conformational ensemble of human α-synuclein physiological form predicted by molecular simulations
-
Rossetti, G., Musiani, F., Abad, E., Dibenedetto, D., Mouhib, H., Fernandez, C. O., & Carloni, P., (2016). Conformational ensemble of human α-synuclein physiological form predicted by molecular simulations. Physical Chemistry Chemical Physics, 18, 5702–5706.10.1039/C5CP04549E
-
(2016)
Physical Chemistry Chemical Physics
, vol.18
, pp. 5702-5706
-
-
Rossetti, G.1
Musiani, F.2
Abad, E.3
Dibenedetto, D.4
Mouhib, H.5
Fernandez, C.O.6
Carloni, P.7
-
77
-
-
78650328037
-
Secondary structure of Ac-Alan-LysH+ polyalanine peptides (n = 5, 10, 15) in vacuo: Helical or not?
-
Rossi, M., Blum, V., Kupser, P., von Helden, G., Bierau, F., Pagel, K., … Scheffler, M., (2010). Secondary structure of Ac-Alan-LysH+ polyalanine peptides (n = 5, 10, 15) in vacuo:Helical or not? The Journal of Physical Chemistry Letters, 1, 3465–3470.10.1021/jz101394u
-
(2010)
The Journal of Physical Chemistry Letters
, vol.1
, pp. 3465-3470
-
-
Rossi, M.1
Blum, V.2
Kupser, P.3
von Helden, G.4
Bierau, F.5
Pagel, K.6
Scheffler, M.7
-
78
-
-
33646940952
-
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
-
Ryckaert, J. P., Ciccotti, G., & Berendsen, H. J. C., (1977). Numerical integration of the cartesian equations of motion of a system with constraints:molecular dynamics of n-alkanes. Journal of Computational Physics, 23, 327–341.10.1016/0021-9991(77)90098-5
-
(1977)
Journal of Computational Physics
, vol.23
, pp. 327-341
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
79
-
-
84926489720
-
Unfolding and folding internal friction of β-hairpins is smaller than that of α-helices
-
Schulz, J. C., Miettinen, M. S., & Netz, R. R., (2015). Unfolding and folding internal friction of β-hairpins is smaller than that of α-helices. The Journal of Physical Chemistry B, 119, 4565–4574.10.1021/jp512056k
-
(2015)
The Journal of Physical Chemistry B
, vol.119
, pp. 4565-4574
-
-
Schulz, J.C.1
Miettinen, M.S.2
Netz, R.R.3
-
80
-
-
0034743155
-
From folding theories to folding proteins: A review and assessment of simulation studies of protein folding and unfolding
-
Shea, J. E., & Brooks, C. L., III. (2001). From folding theories to folding proteins:A review and assessment of simulation studies of protein folding and unfolding. Annual Review of Physical Chemistry, 52, 499–535.10.1146/annurev.physchem.52.1.499
-
(2001)
Annual Review of Physical Chemistry
, vol.52
, pp. 499-535
-
-
Shea, J.E.1
Brooks, C.L.2
-
81
-
-
0037047134
-
Polyproline II structure in a sequence of seven alanine residues
-
Shi, Z., Olson, C. A., Rose, G. D., Baldwin, R. L., & Kallenbach, N. R., (2002). Polyproline II structure in a sequence of seven alanine residues. Proceedings of the National Academy of Sciences, 99, 9190–9195.10.1073/pnas.112193999
-
(2002)
Proceedings of the National Academy of Sciences
, vol.99
, pp. 9190-9195
-
-
Shi, Z.1
Olson, C.A.2
Rose, G.D.3
Baldwin, R.L.4
Kallenbach, N.R.5
-
82
-
-
78650957606
-
Stoichiometry of amino acids drives protein folding?
-
Silva, C. H., & Taft, C. A., (2011). Stoichiometry of amino acids drives protein folding? Journal of Biomolecular Structure and Dynamics, 28, 635–636.10.1080/073911011010524970
-
(2011)
Journal of Biomolecular Structure and Dynamics
, vol.28
, pp. 635-636
-
-
Silva, C.H.1
Taft, C.A.2
-
83
-
-
3142707288
-
Using path sampling to build better Markovian state models: Predicting the folding rate and mechanism of a tryptophan zipper beta hairpin
-
Singhal, N., Snow, C., & Pande, V. S., (2004). Using path sampling to build better Markovian state models:Predicting the folding rate and mechanism of a tryptophan zipper beta hairpin. The Journal of Chemical Physics, 121, 415–425.10.1063/1.1738647
-
(2004)
The Journal of Chemical Physics
, vol.121
, pp. 415-425
-
-
Singhal, N.1
Snow, C.2
Pande, V.S.3
-
84
-
-
52249099484
-
Study of early events in the protein folding of villin headpiece using molecular dynamics simulation
-
Sonavane, U. B., Ramadugu, S. K., & Joshi, R. R., (2008). Study of early events in the protein folding of villin headpiece using molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics, 26, 203–214.10.1080/07391102.2008.10507236
-
(2008)
Journal of Biomolecular Structure and Dynamics
, vol.26
, pp. 203-214
-
-
Sonavane, U.B.1
Ramadugu, S.K.2
Joshi, R.R.3
-
85
-
-
79958139394
-
Stereochemistry and solvent role in protein folding: Nuclear magnetic resonance and molecular dynamics studies of Poly-L and alternating-L, D homopolypeptides in dimethyl sulfoxide
-
Srivastava, K. R., Kumar, A., Goyal, B., & Durani, S., (2011). Stereochemistry and solvent role in protein folding:Nuclear magnetic resonance and molecular dynamics studies of Poly-L and alternating-L, D homopolypeptides in dimethyl sulfoxide. The Journal of Physical Chemistry B, 115, 6700–6708.10.1021/jp200743w
-
(2011)
The Journal of Physical Chemistry B
, vol.115
, pp. 6700-6708
-
-
Srivastava, K.R.1
Kumar, A.2
Goyal, B.3
Durani, S.4
-
86
-
-
0001561813
-
Rules for antiparallel β-sheet design: D-Pro-Gly is superior to L-Asn-Gly for β-hairpin nucleation
-
Stanger, H. E., & Gellman, S. H., (1998). Rules for antiparallel β-sheet design:D-Pro-Gly is superior to L-Asn-Gly for β-hairpin nucleation. Journal of the American Chemical Society, 120, 4236–4237.10.1021/ja973704q
-
(1998)
Journal of the American Chemical Society
, vol.120
, pp. 4236-4237
-
-
Stanger, H.E.1
Gellman, S.H.2
-
87
-
-
0014364651
-
Protein denaturation
-
Tanford, C., (1968). Protein denaturation. Advances in Protein Chemistry, 23, 121–282.10.1016/S0065-3233(08)60401-5
-
(1968)
Advances in Protein Chemistry
, vol.23
, pp. 121-282
-
-
Tanford, C.1
-
88
-
-
0034826730
-
Alpha- and 3(10)-helix interconversion: A quantum-chemical study on polyalanine systems in the gas phase and in aqueous solvent
-
Topol, I. A., Burt, S. K., Deretey, E., Tang, T. H., Perczel, A., Rashin, A., & Csizmadia, I. G., (2001). Alpha- and 3(10)-helix interconversion:A quantum-chemical study on polyalanine systems in the gas phase and in aqueous solvent. Journal of the American Chemical Society, 123, 6054–6060.10.1021/ja0038934
-
(2001)
Journal of the American Chemical Society
, vol.123
, pp. 6054-6060
-
-
Topol, I.A.1
Burt, S.K.2
Deretey, E.3
Tang, T.H.4
Perczel, A.5
Rashin, A.6
Csizmadia, I.G.7
-
89
-
-
33947728761
-
Cooperative hydrogen bonding in amyloid formation
-
Tsemekhman, K., Goldschmidt, L., Eisenberg, D., & Baker, D., (2007). Cooperative hydrogen bonding in amyloid formation. Protein Science, 16, 761–764.10.1110/ps.062609607
-
(2007)
Protein Science
, vol.16
, pp. 761-764
-
-
Tsemekhman, K.1
Goldschmidt, L.2
Eisenberg, D.3
Baker, D.4
-
90
-
-
0003544049
-
-
Zürich: Vdf Hochschulverlag AG an der ETH Zürich
-
van Gunsteren, W. F., Billeter, S. R., Eising, A. A., Hünenberger, P. H., Krüger, P., Mark, A. E., … Tironi, I. G., (1996). Biomolecular Simulation:The GROMOS96 Manual and User Guide. Zürich:Vdf Hochschulverlag AG an der ETH Zürich, 1–1042.
-
(1996)
Biomolecular Simulation: The GROMOS96 Manual and User Guide
, pp. 1-1042
-
-
van Gunsteren, W.F.1
Billeter, S.R.2
Eising, A.A.3
Hünenberger, P.H.4
Krüger, P.5
Mark, A.E.6
Tironi, I.G.7
-
91
-
-
41949112774
-
Molecular simulation as an aid to experimentalists
-
van Gunsteren, W. F., Dolenc, J., & Mark, A. E., (2008). Molecular simulation as an aid to experimentalists. Current Opinion in Structural Biology, 18, 149–153.10.1016/j.sbi.2007.12.007
-
(2008)
Current Opinion in Structural Biology
, vol.18
, pp. 149-153
-
-
van Gunsteren, W.F.1
Dolenc, J.2
Mark, A.E.3
-
92
-
-
63449092567
-
Probing the nanosecond dynamics of a designed three-stranded beta-sheet with a massively parallel molecular dynamics simulation
-
Voelz, V. A., Luttmann, E., Bowman, G. R., & Pande, V. S., (2009). Probing the nanosecond dynamics of a designed three-stranded beta-sheet with a massively parallel molecular dynamics simulation. International Journal of Molecular Sciences, 10, 1013–1030.10.3390/ijms10031013
-
(2009)
International Journal of Molecular Sciences
, vol.10
, pp. 1013-1030
-
-
Voelz, V.A.1
Luttmann, E.2
Bowman, G.R.3
Pande, V.S.4
-
93
-
-
0024281633
-
The gramicidin pore: Crystal structure of a cesium complex
-
Wallace, B. A., & Ravikumar, K., (1988). The gramicidin pore:Crystal structure of a cesium complex. Science, 241, 182–187.10.1126/science.2455344
-
(1988)
Science
, vol.241
, pp. 182-187
-
-
Wallace, B.A.1
Ravikumar, K.2
-
94
-
-
70349559399
-
Folding and unfolding of two mixed alpha/beta peptides
-
Wang, D., Jaun, B., & van Gunsteren, W. F., (2009). Folding and unfolding of two mixed alpha/beta peptides. ChemBioChem, 10, 2032–2041.10.1002/cbic.v10:12
-
(2009)
ChemBioChem
, vol.10
, pp. 2032-2041
-
-
Wang, D.1
Jaun, B.2
van Gunsteren, W.F.3
-
95
-
-
84949981175
-
Evolution, energy landscapes and the paradoxes of protein folding
-
Wolynes, P. G., (2015). Evolution, energy landscapes and the paradoxes of protein folding. Biochimie, 119, 218–230.10.1016/j.biochi.2014.12.007
-
(2015)
Biochimie
, vol.119
, pp. 218-230
-
-
Wolynes, P.G.1
-
96
-
-
84880240881
-
Multiscale simulations of protein folding: Application to formation of secondary structures
-
Xu, J., Ren, Y., & Li, J., (2013). Multiscale simulations of protein folding:Application to formation of secondary structures. Journal of Biomolecular Structure and Dynamics, 31, 779–787.10.1080/07391102.2012.709461
-
(2013)
Journal of Biomolecular Structure and Dynamics
, vol.31
, pp. 779-787
-
-
Xu, J.1
Ren, Y.2
Li, J.3
-
97
-
-
2642587233
-
Comparison of properties of Aib-rich peptides in crystal and solution: A molecular dynamics study
-
Yu, H., Ramseier, M., Bürgi, R., & van Gunsteren, W. F., (2004). Comparison of properties of Aib-rich peptides in crystal and solution:A molecular dynamics study. ChemPhysChem, 5, 633–641.10.1002/(ISSN)1439-7641
-
(2004)
ChemPhysChem
, vol.5
, pp. 633-641
-
-
Yu, H.1
Ramseier, M.2
Bürgi, R.3
van Gunsteren, W.F.4
-
98
-
-
23844465902
-
Unusual compactness of a polyproline type II structure
-
Zagrovic, B., Lipfert, J., Sorin, E. J., Millett, I. S., van Gunsteren, W. F., Doniach, S., & Pande, V. S., (2005). Unusual compactness of a polyproline type II structure. Proceedings of the National Academy of Sciences, 102, 11698–11703.10.1073/pnas.0409693102
-
(2005)
Proceedings of the National Academy of Sciences
, vol.102
, pp. 11698-11703
-
-
Zagrovic, B.1
Lipfert, J.2
Sorin, E.J.3
Millett, I.S.4
van Gunsteren, W.F.5
Doniach, S.6
Pande, V.S.7
-
99
-
-
84945450343
-
Molecular dynamics simulations of conformation and chain length dependent terahertz spectra of alanine polypeptides
-
Zhang, M., Wei, D., Tang, M., Shi, C., Cui, H., & Du, C., (2016). Molecular dynamics simulations of conformation and chain length dependent terahertz spectra of alanine polypeptides. Molecular Simulation, 42, 398–404.10.1080/08927022.2015.1059429
-
(2016)
Molecular Simulation
, vol.42
, pp. 398-404
-
-
Zhang, M.1
Wei, D.2
Tang, M.3
Shi, C.4
Cui, H.5
Du, C.6
-
100
-
-
0000668407
-
Theory of the phase transition between helix and random coil in polypeptide chains
-
Zimm, B. H., & Bragg, J. K., (1959). Theory of the phase transition between helix and random coil in polypeptide chains. The Journal of Chemical Physics, 31, 526–535.10.1063/1.1730390
-
(1959)
The Journal of Chemical Physics
, vol.31
, pp. 526-535
-
-
Zimm, B.H.1
Bragg, J.K.2
|