-
1
-
-
84879283831
-
Loop-loop interaction in adenine-sensing riboswitch: A molecular dynamics study
-
Allnér O, Nilsson L, Villa A. 2013. Loop-loop interaction in adenine-sensing riboswitch: A molecular dynamics study. RNA 19: 916-926.
-
(2013)
RNA
, vol.19
, pp. 916-926
-
-
Allnér, O.1
Nilsson, L.2
Villa, A.3
-
2
-
-
46349083026
-
The distributions, mechanisms, and structures of metabolite-binding riboswitches
-
Barrick JE, Breaker RR. 2007. The distributions, mechanisms, and structures of metabolite-binding riboswitches. Genome Biol 8: R239.
-
(2007)
Genome Biol
, vol.8
-
-
Barrick, J.E.1
Breaker, R.R.2
-
3
-
-
84885988295
-
Structure and mechanism of purine-binding riboswitches
-
Batey RT. 2012. Structure and mechanism of purine-binding riboswitches. Q Rev Biophys 1: 1-37.
-
(2012)
Q Rev Biophys
, vol.1
, pp. 1-37
-
-
Batey, R.T.1
-
4
-
-
9244225713
-
Structure of a natural guanine-responsive riboswitch complexed with the metabolite hypoxanthine
-
DOI 10.1038/nature03037
-
Batey RT, Gilbert SD, Montange RK. 2004. Structure of a natural guanine-responsive riboswitch complexed with the metabolite hypoxanthine. Nature 432: 411-415. (Pubitemid 39551677)
-
(2004)
Nature
, vol.432
, Issue.7015
, pp. 411-415
-
-
Batey, R.T.1
Gilbert, S.D.2
Montange, R.K.3
-
5
-
-
3042524904
-
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: The RESP model
-
Bayly CI, Cieplak P, CornellW, Kollman PA. 1993. A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: The RESP model. J Phys Chem 97: 10269-10280.
-
(1993)
J Phys Chem
, vol.97
, pp. 10269-10280
-
-
Bayly, C.I.1
Cieplak, P.2
Cornell, W.3
Kollman, P.A.4
-
6
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
Berendsen HJC, Postma JPM, van Gunsteren WF, DiNola A, Haak JR. 1984. Molecular dynamics with coupling to an external bath. J Chem Phys 81: 3684-3690.
-
(1984)
J Chem Phys
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Dinola, A.4
Haak, J.R.5
-
7
-
-
33845700514
-
Riboswitches as antibacterial drug targets
-
DOI 10.1038/nbt1268, PII NBT1268
-
Blount KF, Breaker RR. 2006. Riboswitches as antibacterial drug targets. Nat Biotechnol 24: 1558-1564. (Pubitemid 44967480)
-
(2006)
Nature Biotechnology
, vol.24
, Issue.12
, pp. 1558-1564
-
-
Blount, K.F.1
Breaker, R.R.2
-
8
-
-
69349100797
-
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
-
Bonomi M, Branduardi D, Bussi G, Camilloni C, Provasi D, Raiteri P, Donadio D, Marinelli F, Pietrucci F, Broglia RA, et al. 2009. PLUMED: A portable plugin for free-energy calculations with molecular dynamics. Comput Phys Commun 180: 1961-1972.
-
(2009)
Comput Phys Commun
, vol.180
, pp. 1961-1972
-
-
Bonomi, M.1
Branduardi, D.2
Bussi, G.3
Camilloni, C.4
Provasi, D.5
Raiteri, P.6
Donadio, D.7
Marinelli, F.8
Pietrucci, F.9
Broglia, R.A.10
-
10
-
-
33846086933
-
Canonical sampling through velocity rescaling
-
Bussi G, Donadio D, Parrinello M. 2007. Canonical sampling through velocity rescaling. J Chem Phys 126: 014101-014107.
-
(2007)
J Chem Phys
, vol.126
, pp. 014101-014107
-
-
Bussi, G.1
Donadio, D.2
Parrinello, M.3
-
11
-
-
84858694575
-
RNA unwinding from reweighted pulling simulations
-
Colizzi F, Bussi G. 2012. RNA unwinding from reweighted pulling simulations. J Am Chem Soc 134: 5173-5179.
-
(2012)
J Am Chem Soc
, vol.134
, pp. 5173-5179
-
-
Colizzi, F.1
Bussi, G.2
-
12
-
-
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. J Chem Phys 98: 10089-10092.
-
(1993)
J Chem Phys
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
13
-
-
80053041142
-
Riboswitches: Discovery of drugs that target bacterial gene-regulatory RNAs
-
Deigan KE, Ferré-D'Amaré AR. 2011. Riboswitches: Discovery of drugs that target bacterial gene-regulatory RNAs. Acc Chem Res 44: 1329-1338.
-
(2011)
Acc Chem Res
, vol.44
, pp. 1329-1338
-
-
Deigan, K.E.1
Ferré-D'amaré, A.R.2
-
14
-
-
70349598928
-
Transition path sampling and other advanced simulation techniques for rare events
-
Dellago C, Bolhuis PG. 2009. Transition path sampling and other advanced simulation techniques for rare events. Adv Polym Sci 221: 167-233.
-
(2009)
Adv Polym Sci
, vol.221
, pp. 167-233
-
-
Dellago, C.1
Bolhuis, P.G.2
-
15
-
-
84874838623
-
RNA/peptide binding driven by electrostatics-Insight from bidirectional pulling simulations
-
Do TN, Carloni P, Varani G, Bussi G. 2013. RNA/peptide binding driven by electrostatics-Insight from bidirectional pulling simulations. J Chem Theory Comput 9: 1720-1730.
-
(2013)
J Chem Theory Comput
, vol.9
, pp. 1720-1730
-
-
Do, T.N.1
Carloni, P.2
Varani, G.3
Bussi, G.4
-
16
-
-
84874706897
-
Riboswitches: A common RNA regulatory element
-
Edwards AL, Batey RT. 2010. Riboswitches: A common RNA regulatory element. Nat Edu 3: 9.
-
(2010)
Nat Edu
, vol.3
, pp. 9
-
-
Edwards, A.L.1
Batey, R.T.2
-
17
-
-
0038626673
-
-
Revision C.02. Gaussian, Inc., Wallingford, CT
-
Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, et al. 2004. Gaussian 03, Revision C.02. Gaussian, Inc., Wallingford, CT.
-
(2004)
Gaussian 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
-
18
-
-
72149126118
-
A switch in time: Detailing the life of a riboswitch
-
Garst AD, Batey RT. 2009. A switch in time: Detailing the life of a riboswitch. Biochim Biophys Acta 1789: 584-591.
-
(2009)
Biochim Biophys Acta
, vol.1789
, pp. 584-591
-
-
Garst, A.D.1
Batey, R.T.2
-
19
-
-
33646768226
-
Thermodynamic and Kinetic Characterization of Ligand Binding to the Purine Riboswitch Aptamer Domain
-
DOI 10.1016/j.jmb.2006.04.003, PII S0022283606004517
-
Gilbert SD, Stoddard CD, Wise SJ, Batey RT. 2006. Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain. J Mol Biol 359: 754-768. (Pubitemid 43767264)
-
(2006)
Journal of Molecular Biology
, vol.359
, Issue.3
, pp. 754-768
-
-
Gilbert, S.D.1
Stoddard, C.D.2
Wise, S.J.3
Batey, R.T.4
-
20
-
-
80052240487
-
Role of ligand binding in structural organization of add A-riboswitch aptamer: A molecular dynamics simulation
-
Gong Z, Zhao Y, Chen C, Xiao Y. 2011. Role of ligand binding in structural organization of add A-riboswitch aptamer: A molecular dynamics simulation. J Biomol Struct Dyn 29: 403-416.
-
(2011)
J Biomol Struct Dyn
, vol.29
, pp. 403-416
-
-
Gong, Z.1
Zhao, Y.2
Chen, C.3
Xiao, Y.4
-
21
-
-
0030059225
-
Ligand binding: Molecular mechanics calculation of the streptavidin-biotin rupture force
-
Grubmüller H, Heymann B, Tavan P. 1996. Ligand binding: Molecular mechanics calculation of the streptavidin-biotin rupture force. Science 271: 997-999. (Pubitemid 26066398)
-
(1996)
Science
, vol.271
, Issue.5251
, pp. 997-999
-
-
Grubmuller, H.1
Heymann, B.2
Tavan, P.3
-
22
-
-
0000388705
-
LINCS: A Linear Constraint Solver for molecular simulations
-
Hess B, Bekker H, Berendsen HJC, Fraaije JGEM. 1997. LINCS: A linear constraint solver for molecular simulations. J Comput Chem 18: 1463-1472. (Pubitemid 127637344)
-
(1997)
Journal of Computational Chemistry
, vol.18
, Issue.12
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
23
-
-
46249092554
-
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
-
Hess B, Kutzner C, van der Spoel D, Lindahl E. 2008. GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation. J Chem Theory Comput 4: 435-447.
-
(2008)
J Chem Theory Comput
, vol.4
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Van Der Spoel, D.3
Lindahl, E.4
-
24
-
-
34249772381
-
Fast folding and comparison of RNA secondary structures
-
Hofacker IL, Fontana W, Stadler PF, Bonhoeffer LS, Tacker M, Schuster P. 1994. Fast folding and comparison of RNA secondary structures. Monatsh Chem 125: 167-188.
-
(1994)
Monatsh Chem
, vol.125
, pp. 167-188
-
-
Hofacker, I.L.1
Fontana, W.2
Stadler, P.F.3
Bonhoeffer, L.S.4
Tacker, M.5
Schuster, P.6
-
25
-
-
4243754128
-
Nonequilibrium equality for free energy differences
-
Jarzynski C. 1997a. Nonequilibrium equality for free energy differences. Phys Rev Lett 78: 2690-2693. (Pubitemid 127655287)
-
(1997)
Physical Review Letters
, vol.78
, Issue.14
, pp. 2690-2693
-
-
Jarzynski, C.1
-
27
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML. 1983. Comparison of simple potential functions for simulating liquid water. J Chem Phys 79: 926-935.
-
(1983)
J Chem Phys
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
28
-
-
38849103659
-
Purine sensing by riboswitches
-
DOI 10.1042/BC20070088
-
Kim J, Breaker R. 2008. Purine sensing by riboswitches. Biol Cell 100: 1-11. (Pubitemid 351201429)
-
(2008)
Biology of the Cell
, vol.100
, Issue.1
, pp. 1-11
-
-
Kim, J.N.1
Breaker, R.R.2
-
29
-
-
84986519238
-
The weighted histogram analysis method for free-energy calculations on biomolecules. I. The Method
-
Kumar S, Rosenberg JM, Bouzida D, Swendsen RH, Kollman PA. 1992. The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method. J Comput Chem 13: 1011-1021.
-
(1992)
J Comput Chem
, vol.13
, pp. 1011-1021
-
-
Kumar, S.1
Rosenberg, J.M.2
Bouzida, D.3
Swendsen, R.H.4
Kollman, P.A.5
-
30
-
-
77952700860
-
Real-time multidimensional NMR follows RNA folding with second resolution
-
Lee MK, Gal M, Frydman L, Varani G. 2010. Real-time multidimensional NMR follows RNA folding with second resolution. Proc Natl Acad Sci 107: 9192-9197.
-
(2010)
Proc Natl Acad Sci
, vol.107
, pp. 9192-9197
-
-
Lee, M.K.1
Gal, M.2
Frydman, L.3
Varani, G.4
-
31
-
-
79953682254
-
Effects of Mg2+ on the free energy landscape for folding a purine riboswitch RNA
-
Leipply D, Draper DE. 2011. Effects of Mg2+ on the free energy landscape for folding a purine riboswitch RNA. Biochemistry 50: 2790-2799.
-
(2011)
Biochemistry
, vol.50
, pp. 2790-2799
-
-
Leipply, D.1
Draper, D.E.2
-
32
-
-
33847308180
-
Core requirements of the adenine riboswitch aptamer for ligand binding
-
Lemay JC, Lafontaine DA. 2007. Core requirements of the adenine riboswitch aptamer for ligand binding. RNA 13: 339-350.
-
(2007)
RNA
, vol.13
, pp. 339-350
-
-
Lemay, J.C.1
Lafontaine, D.A.2
-
33
-
-
79851499341
-
Comparative study between transcriptionally-and translationally-acting adenine riboswitches reveals key differences in riboswitch regulatory mechanisms
-
Lemay JF, Desnoyers G, Blouin S, Heppell B, Bastet L, St-Pierre P, Massé E, Lafontaine DA. 2011. Comparative study between transcriptionally-and translationally-acting adenine riboswitches reveals key differences in riboswitch regulatory mechanisms. PLoS Genet 7: e1001278.
-
(2011)
PLoS Genet
, vol.7
-
-
Lemay, J.F.1
Desnoyers, G.2
Blouin, S.3
Heppell, B.4
Bastet, L.5
St-Pierre, P.6
Massé, E.7
Lafontaine, D.A.8
-
34
-
-
0037102491
-
The non-Watson-Crick base pairs and their associated isostericity matrices
-
Leontis NB, Stombaugh J, Westhof E. 2002. The non-Watson-Crick base pairs and their associated isostericity matrices. Nucleic Acids Res 30: 3497-3531. (Pubitemid 34919207)
-
(2002)
Nucleic Acids Research
, vol.30
, Issue.16
, pp. 3497-3531
-
-
Leontis, N.B.1
Stombaugh, J.2
Westhof, E.3
-
35
-
-
54849437727
-
Relative stability of helices determines the folding landscape of adenine riboswitch aptamers
-
Lin JC, Thirumalai D. 2008. Relative stability of helices determines the folding landscape of adenine riboswitch aptamers. J Am Chem Soc 130: 14080-14081.
-
(2008)
J Am Chem Soc
, vol.130
, pp. 14080-14081
-
-
Lin, J.C.1
Thirumalai, D.2
-
36
-
-
84870802321
-
RNA under tension: Folding landscapes, kinetic partitioning mechanism, and molecular tensegrity
-
Lin JC, Hyeon C, Thirumalai D. 2012. RNA under tension: Folding landscapes, kinetic partitioning mechanism, and molecular tensegrity. J Phys Chem Lett 3: 3616-3625.
-
(2012)
J Phys Chem Lett
, vol.3
, pp. 3616-3625
-
-
Lin, J.C.1
Hyeon, C.2
Thirumalai, D.3
-
37
-
-
82055164092
-
ViennaRNA Package 2. 0
-
Lorenz R, Bernhart SH, Höner zu Siederdissen C, Tafer H, Flamm C, Stadler PF, Hofacker I. 2011. ViennaRNA Package 2.0. Algorithm Mol Biol 6: 26.
-
(2011)
Algorithm Mol Biol
, vol.6
, pp. 26
-
-
Lorenz, R.1
Bernhart, S.H.2
Höner Zu Siederdissen, C.3
Tafer, H.4
Flamm, C.5
Stadler, P.F.6
Hofacker, I.7
-
38
-
-
0842334528
-
Adenine riboswitches and gene activation by disruption of a transcription terminator
-
Mandal M, Breaker RR. 2003. Adenine riboswitches and gene activation by disruption of a transcription terminator. Nat Struct Mol Biol 11: 29-35.
-
(2003)
Nat Struct Mol Biol
, vol.11
, pp. 29-35
-
-
Mandal, M.1
Breaker, R.R.2
-
40
-
-
2442626706
-
Incorporating chemical modification constraints into a dynamic programming algorithm for prediction of RNA secondary structure
-
DOI 10.1073/pnas.0401799101
-
Mathews DH, Disney MD,Childs JL, Schroeder SJ, Zuker M, Turner DH. 2004. Incorporating chemical modification constraints into a dynamic programming algorithm for prediction of RNA secondary structure. Proc Natl Acad Sci 101: 7287-7292. (Pubitemid 38638025)
-
(2004)
Proceedings of the National Academy of Sciences of the United States of America
, vol.101
, Issue.19
, pp. 7287-7292
-
-
Mathews, D.H.1
Disney, M.D.2
Childs, J.L.3
Schroeder, S.J.4
Zuker, M.5
Turner, D.H.6
-
41
-
-
33745628336
-
Structure of the S-adenosylmethionine riboswitch regulatory mRNA element
-
DOI 10.1038/nature04819, PII N04819
-
Montange RK, Batey RT. 2006. Structure of the S-adenosylmethionine riboswitch regulatory mRNA element. Nature 441: 1172-1175. (Pubitemid 43990740)
-
(2006)
Nature
, vol.441
, Issue.7097
, pp. 1172-1175
-
-
Montange, R.K.1
Batey, R.T.2
-
42
-
-
77954079519
-
Novel riboswitch ligand analogs as selective inhibitors of guanine-related metabolic pathways
-
Mulhbacher J, Brouillette E, Allard M, Fortier LC, Malouin F, Lafontaine DA. 2010. Novel riboswitch ligand analogs as selective inhibitors of guanine-related metabolic pathways. PLoS Pathog 6: e1000865.
-
(2010)
PLoS Pathog
, vol.6
-
-
Mulhbacher, J.1
Brouillette, E.2
Allard, M.3
Fortier, L.C.4
Malouin, F.5
Lafontaine, D.A.6
-
43
-
-
80053216036
-
Single-molecule force spectroscopy of the add adenine riboswitch relates folding to regulatory mechanism
-
Neupane K, Yu H, Foster DAN, Wang F, Woodside MT. 2011. Single-molecule force spectroscopy of the add adenine riboswitch relates folding to regulatory mechanism. Nucleic Acids Res 39: 7677-7687.
-
(2011)
Nucleic Acids Res
, vol.39
, pp. 7677-7687
-
-
Neupane, K.1
Yu, H.2
Foster, D.A.N.3
Wang, F.4
Woodside, M.T.5
-
44
-
-
13444271576
-
An intermolecular base triple as the basis of ligand specificity and affinity in the guanine- and adenine-sensing riboswitch RNAs
-
DOI 10.1073/pnas.0406347102
-
Noeske J, Richter C, Grundl MA, Nasiri HR, Schwalbe H, Wöhnert J. 2005. An intermolecular base triple as the basis of ligand specificity and affinity in the guanine-and adenine-sensing riboswitch RNAs. Proc Natl Acad Sci 102: 1372-1377. (Pubitemid 40209177)
-
(2005)
Proceedings of the National Academy of Sciences of the United States of America
, vol.102
, Issue.5
, pp. 1372-1377
-
-
Noeske, J.1
Richter, C.2
Grundl, M.A.3
Nasiri, H.R.4
Schwalbe, H.5
Wohnert, J.6
-
45
-
-
34250318638
-
Refinement of the AMBER force field for nucleic acids: Improving the description of conformers
-
DOI 10.1529/biophysj.106.097782
-
Pérez A, Marchán I, Svozil D, Sponer J, Cheatham TE III, Laughton CA, Orozco M. 2007. Refinement of the amber force field for nucleic acids: Improving the description of α/γ conformers. Biophys J 92: 3817-3829. (Pubitemid 46910569)
-
(2007)
Biophysical Journal
, vol.92
, Issue.11
, pp. 3817-3829
-
-
Perez, A.1
Marchan, I.2
Svozil, D.3
Sponer, J.4
Cheatham III, T.E.5
Laughton, C.A.6
Orozco, M.7
-
46
-
-
77649274141
-
Role of the adenine ligand on the stabilization of the secondary and tertiary interactions in the adenine riboswitch
-
Priyakumar U, MacKerell AD. 2010. Role of the adenine ligand on the stabilization of the secondary and tertiary interactions in the adenine riboswitch. J Mol Biol 396: 1422-1438.
-
(2010)
J Mol Biol
, vol.396
, pp. 1422-1438
-
-
Priyakumar, U.1
Mackerell, A.D.2
-
47
-
-
34447548824
-
Ligand-induced folding of the adenosine deaminase A-riboswitch and implications on riboswitch translational control
-
DOI 10.1002/cbic.200700057
-
Rieder R, Lang K, Graber D, Micura R. 2007. Ligand-induced folding of the adenosine deaminase A-riboswitch and implications on riboswitch translational control. Chembiochem 8: 896-902. (Pubitemid 47194838)
-
(2007)
ChemBioChem
, vol.8
, Issue.8
, pp. 896-902
-
-
Rieder, R.1
Lang, K.2
Graber, D.3
Micura, R.4
-
48
-
-
67650713931
-
The structural and functional diversity of metabolite-binding riboswitches
-
Roth A, Breaker RR. 2009. The structural and functional diversity of metabolite-binding riboswitches. Annu Rev Biochem 78: 305-334.
-
(2009)
Annu Rev Biochem
, vol.78
, pp. 305-334
-
-
Roth, A.1
Breaker, R.R.2
-
49
-
-
84872543206
-
A decade of riboswitches
-
Serganov A, Nudler E. 2013. A decade of riboswitches. Cell 152: 17-24.
-
(2013)
Cell
, vol.152
, pp. 17-24
-
-
Serganov, A.1
Nudler, E.2
-
50
-
-
84861405805
-
Metabolite recognition principles and molecular mechanisms underlying riboswitch function
-
Serganov A, Patel DJ. 2012. Metabolite recognition principles and molecular mechanisms underlying riboswitch function. Ann Rev Biophys 41: 343-370.
-
(2012)
Ann Rev Biophys
, vol.41
, pp. 343-370
-
-
Serganov, A.1
Patel, D.J.2
-
51
-
-
10644250950
-
Structural basis for discriminative regulation of gene expression by adenine- and guanine-sensing mRNAs
-
DOI 10.1016/j.chembiol.2004.11.018, PII S1074552104003436
-
Serganov A, Yuan YR, Pikovskaya O, Polonskaia A, Malinina L, Phan AT, Hobartner C, Micura R, Breaker RR, Patel DJ. 2004. Structural basis for discriminative regulation of gene expression by adenine-and guanine-sensing mRNAs. Chem Biol 11: 1729-1741. (Pubitemid 39651306)
-
(2004)
Chemistry and Biology
, vol.11
, Issue.12
, pp. 1729-1741
-
-
Serganov, A.1
Yuan, Y.-R.2
Pikovskaya, O.3
Polonskaia, A.4
Malinina, L.5
Phan, A.T.6
Hobartner, C.7
Micura, R.8
Breaker, R.R.9
Patel, D.J.10
-
52
-
-
69049086655
-
MD simulations of ligand-bound and ligand-free aptamer: Molecular level insights into the binding and switching mechanism of the add A-riboswitch
-
Sharma M, Bulusu G, Mitra A. 2009. MD simulations of ligand-bound and ligand-free aptamer: Molecular level insights into the binding and switching mechanism of the add A-riboswitch. RNA 15: 1673-1692.
-
(2009)
RNA
, vol.15
, pp. 1673-1692
-
-
Sharma, M.1
Bulusu, G.2
Mitra, A.3
-
53
-
-
34249930159
-
Single-molecule experiments in vitro and in silico
-
DOI 10.1126/science.1137591
-
Sotomayor M, Schulten K. 2007. Single-molecule experiments in vitro and in silico. Science 316: 1144-1148. (Pubitemid 46877468)
-
(2007)
Science
, vol.316
, Issue.5828
, pp. 1144-1148
-
-
Sotomayor, M.1
Schulten, K.2
-
54
-
-
75549088409
-
NNDB: The nearest neighbor parameter database for predicting stability of nucleic acid secondary structure
-
Turner DH, Mathews DH. 2010. NNDB: The nearest neighbor parameter database for predicting stability of nucleic acid secondary structure. Nucleic Acids Res 38: D280-D282.
-
(2010)
Nucleic Acids Res
, vol.38
-
-
Turner, D.H.1
Mathews, D.H.2
-
55
-
-
0001398008
-
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
-
Wang J, Cieplak P, Kollman PA. 2000. How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? J Comput Chem 21: 1049-1074.
-
(2000)
J Comput Chem
, vol.21
, pp. 1049-1074
-
-
Wang, J.1
Cieplak, P.2
Kollman, P.A.3
-
56
-
-
2942532422
-
Development and testing of a general amber force field
-
Wang J, Wolf RM, Caldwell JW, Kollman PA, Case DA. 2004. Development and testing of a general amber force field. J Comput Chem 25: 1157-1174.
-
(2004)
J Comput Chem
, vol.25
, pp. 1157-1174
-
-
Wang, J.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
57
-
-
58849122772
-
Nonlocal helix formation is key to understanding S-adenosylmethionine-1 riboswitch function
-
Whitford PC, Schug A, Saunders J, Hennelly SP, Onuchic JN, Sanbonmatsu KY. 2009. Nonlocal helix formation is key to understanding S-adenosylmethionine- 1 riboswitch function. Biophys J 96: L7-L9.
-
(2009)
Biophys J
, vol.96
-
-
Whitford, P.C.1
Schug, A.2
Saunders, J.3
Hennelly, S.P.4
Onuchic, J.N.5
Sanbonmatsu, K.Y.6
-
58
-
-
80052820313
-
Refinement of the Cornell et al nucleic acids force field based on reference quantum chemical calculations of glycosidic torsion profiles
-
Zgarbová M, Otyepka M, Šponer J, Mládek A, BanአP, Cheatham TE III, Jurečka P. 2011. Refinement of the Cornell et al. nucleic acids force field based on reference quantum chemical calculations of glycosidic torsion profiles. J Chem Theory Comput 7: 2886-2902.
-
(2011)
J Chem Theory Comput
, vol.7
, pp. 2886-2902
-
-
Zgarbová, M.1
Otyepka, M.2
Šponer, J.3
Mládek, A.4
Banáš, P.5
Cheatham III, T.E.6
Jurečka, P.7
|