-
1
-
-
0035816218
-
Domain combinations in archaeal, eubacterial and eukaryotic proteomes
-
G. Apic, J. Gough, and S.A. Teichmann Domain combinations in archaeal, eubacterial and eukaryotic proteomes J Mol Biol 310 2001 311 325
-
(2001)
J Mol Biol
, vol.310
, pp. 311-325
-
-
Apic, G.1
Gough, J.2
Teichmann, S.A.3
-
2
-
-
79960189344
-
Dynamic allostery: Linkers are not merely flexible
-
B.Y. Ma, C.J. Tsai, T. Haliloglu, and R. Nussinov Dynamic allostery: linkers are not merely flexible Structure 19 2011 907 917
-
(2011)
Structure
, vol.19
, pp. 907-917
-
-
Ma, B.Y.1
Tsai, C.J.2
Haliloglu, T.3
Nussinov, R.4
-
3
-
-
37249067732
-
The origin of protein interactions and allostery in colocalization
-
J. Kuriyan, and D. Eisenberg The origin of protein interactions and allostery in colocalization Nature 450 2007 983 990
-
(2007)
Nature
, vol.450
, pp. 983-990
-
-
Kuriyan, J.1
Eisenberg, D.2
-
4
-
-
33144464467
-
Control of protein functional dynamics by peptide linkers
-
W. Wriggers, S. Chakravarty, and P.A. Jennings Control of protein functional dynamics by peptide linkers Biopolymers 80 2005 736 746
-
(2005)
Biopolymers
, vol.80
, pp. 736-746
-
-
Wriggers, W.1
Chakravarty, S.2
Jennings, P.A.3
-
5
-
-
82655179921
-
How do dynamic cellular signals travel long distances?
-
R. Nussinov How do dynamic cellular signals travel long distances? Mol BioSyst 8 2012 22 26
-
(2012)
Mol BioSyst
, vol.8
, pp. 22-26
-
-
Nussinov, R.1
-
6
-
-
84870916379
-
An interdomain energetic tug-of-war creates the allosterically active state in Hsp70 molecular chaperones
-
A. Zhuravleva, E.M. Clerico, and L.M. Gierasch An interdomain energetic tug-of-war creates the allosterically active state in Hsp70 molecular chaperones Cell 151 2012 1296 1307
-
(2012)
Cell
, vol.151
, pp. 1296-1307
-
-
Zhuravleva, A.1
Clerico, E.M.2
Gierasch, L.M.3
-
7
-
-
33846688095
-
Proline cis-trans isomerization controls autoinhibition of a signaling protein
-
P. Sarkar, C. Reichman, T. Saleh, R.B. Birge, and C.G. Kalodimos Proline cis-trans isomerization controls autoinhibition of a signaling protein Mol Cell 25 2007 413 426
-
(2007)
Mol Cell
, vol.25
, pp. 413-426
-
-
Sarkar, P.1
Reichman, C.2
Saleh, T.3
Birge, R.B.4
Kalodimos, C.G.5
-
8
-
-
84867051096
-
Computational and experimental analyses reveal the essential roles of interdomain linkers in the biological function of chemotaxis histidine kinase chea
-
X.Q. Wang, C. Wu, J.E.S. Anh Vu, and F.W. Dahlquist Computational and experimental analyses reveal the essential roles of interdomain linkers in the biological function of chemotaxis histidine kinase chea J Am Chem Soc 134 2012 16107 16110
-
(2012)
J Am Chem Soc
, vol.134
, pp. 16107-16110
-
-
Wang, X.Q.1
Wu, C.2
Anh Vu, J.E.S.3
Dahlquist, F.W.4
-
9
-
-
84883397614
-
Signaling through dynamic linkers as revealed by PKA
-
M. Akimoto, R. Selvaratnam, E.T. McNicholl, G. Verma, S.S. Taylor, and G. Melacini Signaling through dynamic linkers as revealed by PKA Proc Natl Acad Sci USA 110 2013 14231 14236
-
(2013)
Proc Natl Acad Sci USA
, vol.110
, pp. 14231-14236
-
-
Akimoto, M.1
Selvaratnam, R.2
McNicholl, E.T.3
Verma, G.4
Taylor, S.S.5
Melacini, G.6
-
10
-
-
84887727294
-
Interdomain dynamics explored by paramagnetic NMR
-
L. Russo, M. Maestre-Martinez, S. Wolff, S. Becker, and C. Griesinger Interdomain dynamics explored by paramagnetic NMR J Am Chem Soc 135 2013 17111 17120
-
(2013)
J Am Chem Soc
, vol.135
, pp. 17111-17120
-
-
Russo, L.1
Maestre-Martinez, M.2
Wolff, S.3
Becker, S.4
Griesinger, C.5
-
11
-
-
80755127361
-
Domain cooperativity in multidomain proteins: What can we learn from molecular alignment in anisotropic media?
-
T. Yuwen, C.B. Post, and N.R. Skrynnikov Domain cooperativity in multidomain proteins: what can we learn from molecular alignment in anisotropic media? J Biomol NMR 51 2011 131 150
-
(2011)
J Biomol NMR
, vol.51
, pp. 131-150
-
-
Yuwen, T.1
Post, C.B.2
Skrynnikov, N.R.3
-
12
-
-
79955565642
-
Allosteric signal transmission in the nucleotide-binding domain of 70-kDa heat shock protein (Hsp70) molecular chaperones
-
A. Zhuravleva, and L.M. Gierasch Allosteric signal transmission in the nucleotide-binding domain of 70-kDa heat shock protein (Hsp70) molecular chaperones Proc Natl Acad Sci U S A 108 2011 6987 6992
-
(2011)
Proc Natl Acad Sci U S A
, vol.108
, pp. 6987-6992
-
-
Zhuravleva, A.1
Gierasch, L.M.2
-
13
-
-
84881636230
-
Determining interdomain structure and dynamics of a retroviral capsid protein in the presence of oligomerization: Implication for structural transition in capsid assembly
-
K. Chen, and N. Tjandra Determining interdomain structure and dynamics of a retroviral capsid protein in the presence of oligomerization: implication for structural transition in capsid assembly Biochemistry 52 2013 5365 5371
-
(2013)
Biochemistry
, vol.52
, pp. 5365-5371
-
-
Chen, K.1
Tjandra, N.2
-
14
-
-
80053025476
-
Estimation of interdomain flexibility of N-terminus of factor h using residual dipolar couplings
-
M. Maciejewski, N. Tjandra, and P.N. Barlow Estimation of interdomain flexibility of N-terminus of factor h using residual dipolar couplings Biochemistry 50 2011 8138 8149
-
(2011)
Biochemistry
, vol.50
, pp. 8138-8149
-
-
Maciejewski, M.1
Tjandra, N.2
Barlow, P.N.3
-
15
-
-
79851489016
-
Combined use of residual dipolar couplings and solution X-ray scattering to rapidly probe rigid-body conformational transitions in a non-phosphorylatable active-site mutant of the 128 kDa enzyme i dimer
-
Y. Takayama, C.D. Schwieters, A. Grishaev, R. Ghirlando, and G.M. Clore Combined use of residual dipolar couplings and solution X-ray scattering to rapidly probe rigid-body conformational transitions in a non-phosphorylatable active-site mutant of the 128 kDa enzyme I dimer J Am Chem Soc 133 2011 424 427
-
(2011)
J Am Chem Soc
, vol.133
, pp. 424-427
-
-
Takayama, Y.1
Schwieters, C.D.2
Grishaev, A.3
Ghirlando, R.4
Clore, G.M.5
-
16
-
-
84874181173
-
Integrative structural biology
-
A.B. Ward, A. Sali, and I.A. Wilson Integrative structural biology Science 339 2013 913 915
-
(2013)
Science
, vol.339
, pp. 913-915
-
-
Ward, A.B.1
Sali, A.2
Wilson, I.A.3
-
17
-
-
37249065351
-
The molecular sociology of the cell
-
C.V. Robinson, A. Sali, and W. Baumeister The molecular sociology of the cell Nature 450 2007 973 982
-
(2007)
Nature
, vol.450
, pp. 973-982
-
-
Robinson, C.V.1
Sali, A.2
Baumeister, W.3
-
18
-
-
77955498721
-
Using NMR chemical shifts as structural restraints in molecular dynamics simulations of proteins
-
P. Robustelli, K. Kohlhoff, A. Cavalli, and M. Vendruscolo Using NMR chemical shifts as structural restraints in molecular dynamics simulations of proteins Structure 18 2010 923 933
-
(2010)
Structure
, vol.18
, pp. 923-933
-
-
Robustelli, P.1
Kohlhoff, K.2
Cavalli, A.3
Vendruscolo, M.4
-
19
-
-
84857845204
-
Characterization of the conformational equilibrium between the two major substates of RNase a using NMR chemical shifts
-
C. Camilloni, P. Robustelli, A. De Simone, A. Cavalli, and M. Vendruscolo Characterization of the conformational equilibrium between the two major substates of RNase a using NMR chemical shifts J Am Chem Soc 134 2012 3968 3971
-
(2012)
J Am Chem Soc
, vol.134
, pp. 3968-3971
-
-
Camilloni, C.1
Robustelli, P.2
De Simone, A.3
Cavalli, A.4
Vendruscolo, M.5
-
20
-
-
84873905399
-
Assessment of the use of NMR chemical shifts as replica-averaged structural restraints in molecular dynamics simulations to characterize the dynamics of proteins
-
C. Camilloni, A. Cavalli, and M. Vendruscolo Assessment of the use of NMR chemical shifts as replica-averaged structural restraints in molecular dynamics simulations to characterize the dynamics of proteins J Phys Chem B 117 2013 1838 1843
-
(2013)
J Phys Chem B
, vol.117
, pp. 1838-1843
-
-
Camilloni, C.1
Cavalli, A.2
Vendruscolo, M.3
-
21
-
-
77950403640
-
Defining conformational ensembles of intrinsically disordered and partially folded proteins directly from chemical shifts
-
M.R. Jensen, L. Salmon, G. Nodet, and M. Blackledge Defining conformational ensembles of intrinsically disordered and partially folded proteins directly from chemical shifts J Am Chem Soc 132 2010 1270 1272
-
(2010)
J Am Chem Soc
, vol.132
, pp. 1270-1272
-
-
Jensen, M.R.1
Salmon, L.2
Nodet, G.3
Blackledge, M.4
-
22
-
-
84859575300
-
Interpreting protein structural dynamics from NMR chemical shifts
-
P. Robustelli, K.A. Stafford, and A.G. Palmer Interpreting protein structural dynamics from NMR chemical shifts J Am Chem Soc 134 2012 6365 6374
-
(2012)
J Am Chem Soc
, vol.134
, pp. 6365-6374
-
-
Robustelli, P.1
Stafford, K.A.2
Palmer, A.G.3
-
24
-
-
84876837158
-
Characterization of the free-energy landscapes of proteins by NMR-guided metadynamics
-
D. Granata, C. Camilloni, M. Vendruscolo, and A. Laio Characterization of the free-energy landscapes of proteins by NMR-guided metadynamics Proc Natl Acad Sci U S A 110 2013 6817 6822
-
(2013)
Proc Natl Acad Sci U S A
, vol.110
, pp. 6817-6822
-
-
Granata, D.1
Camilloni, C.2
Vendruscolo, M.3
Laio, A.4
-
25
-
-
84874846601
-
Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle
-
A. Cavalli, C. Camilloni, and M. Vendruscolo Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle J Chem Phys 138 2013 094112
-
(2013)
J Chem Phys
, vol.138
, pp. 094112
-
-
Cavalli, A.1
Camilloni, C.2
Vendruscolo, M.3
-
26
-
-
84874919387
-
On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method
-
B. Roux, and J. Weare On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method J Chem Phys 138 2013 084107
-
(2013)
J Chem Phys
, vol.138
, pp. 084107
-
-
Roux, B.1
Weare, J.2
-
27
-
-
0026748968
-
15N relaxation using inverse detected two-dimensional NMR spectroscopy: The central helix is flexible
-
15N relaxation using inverse detected two-dimensional NMR spectroscopy: the central helix is flexible Biochemistry 31 1992 5269 5278
-
(1992)
Biochemistry
, vol.31
, pp. 5269-5278
-
-
Barbato, G.1
Ikura, M.2
Kay, L.E.3
Pastor, R.W.4
Bax, A.5
-
28
-
-
0043194166
-
Temperature dependence of domain motions of calmodulin probed by NMR relaxation at multiple fields
-
S.L. Chang, A. Szabo, and N. Tjandra Temperature dependence of domain motions of calmodulin probed by NMR relaxation at multiple fields J Am Chem Soc 125 2003 11379 11384
-
(2003)
J Am Chem Soc
, vol.125
, pp. 11379-11384
-
-
Chang, S.L.1
Szabo, A.2
Tjandra, N.3
-
29
-
-
2342640750
-
Experimentally exploring the conformational space sampled by domain reorientation in calmodulin
-
I. Bertini, C. Del Bianco, I. Gelis, N. Katsaros, C. Luchinat, and G. Parigi et al. Experimentally exploring the conformational space sampled by domain reorientation in calmodulin Proc Natl Acad Sci U S A 101 2004 6841 6846
-
(2004)
Proc Natl Acad Sci U S A
, vol.101
, pp. 6841-6846
-
-
Bertini, I.1
Del Bianco, C.2
Gelis, I.3
Katsaros, N.4
Luchinat, C.5
Parigi, G.6
-
30
-
-
77957114696
-
Conformational space of flexible biological macromolecules from average data
-
I. Bertini, A. Giachetti, C. Luchinat, G. Parigi, M.V. Petoukhov, and R. Pierattelli et al. Conformational space of flexible biological macromolecules from average data J Am Chem Soc 132 2010 13553 13558
-
(2010)
J Am Chem Soc
, vol.132
, pp. 13553-13558
-
-
Bertini, I.1
Giachetti, A.2
Luchinat, C.3
Parigi, G.4
Petoukhov, M.V.5
Pierattelli, R.6
-
31
-
-
83055186781
-
Transient, sparsely populated compact states of apo and calcium-loaded calmodulin probed by paramagnetic relaxation enhancement: Interplay of conformational selection and induced fit
-
N.J. Anthis, M. Doucleff, and G.M. Clore Transient, sparsely populated compact states of apo and calcium-loaded calmodulin probed by paramagnetic relaxation enhancement: interplay of conformational selection and induced fit J Am Chem Soc 133 2011 18966 18974
-
(2011)
J Am Chem Soc
, vol.133
, pp. 18966-18974
-
-
Anthis, N.J.1
Doucleff, M.2
Clore, G.M.3
-
32
-
-
42949129270
-
A coupled equilibrium shift mechanism in calmodulin-mediated signal transduction
-
J. Gsponer, J. Christodoulou, A. Cavalli, J.M. Bui, B. Richter, and C.M. Dobson et al. A coupled equilibrium shift mechanism in calmodulin-mediated signal transduction Structure 16 2008 736 746
-
(2008)
Structure
, vol.16
, pp. 736-746
-
-
Gsponer, J.1
Christodoulou, J.2
Cavalli, A.3
Bui, J.M.4
Richter, B.5
Dobson, C.M.6
-
33
-
-
84862303541
-
Paramagnetic relaxation enhancement for the characterization of the conformational heterogeneity in two-domain proteins
-
I. Bertini, C. Luchinat, M. Nagulapalli, G. Parigi, and E. Ravera Paramagnetic relaxation enhancement for the characterization of the conformational heterogeneity in two-domain proteins Phys Chem Chem Phys 14 2012 9149 9156
-
(2012)
Phys Chem Chem Phys
, vol.14
, pp. 9149-9156
-
-
Bertini, I.1
Luchinat, C.2
Nagulapalli, M.3
Parigi, G.4
Ravera, E.5
-
34
-
-
0025341339
-
15N spectra of larger proteins: Heteronuclear triple-resonance three-dimensional NMR spectroscopy. Application to calmodulin
-
15N spectra of larger proteins: heteronuclear triple-resonance three-dimensional NMR spectroscopy. Application to calmodulin Biochemistry 29 1990 4659 4667
-
(1990)
Biochemistry
, vol.29
, pp. 4659-4667
-
-
Ikura, M.1
Kay, L.E.2
Bax, A.3
-
35
-
-
0025996973
-
Secondary structure and side-chain proton and carbon-13 resonance assignments of calmodulin in solution by heteronuclear multidimensional NMR spectroscopy
-
M. Ikura, S. Spera, G. Barbato, L.E. Kay, M. Krinks, and A. Bax Secondary structure and side-chain proton and carbon-13 resonance assignments of calmodulin in solution by heteronuclear multidimensional NMR spectroscopy Biochemistry 30 1991 9216 9228
-
(1991)
Biochemistry
, vol.30
, pp. 9216-9228
-
-
Ikura, M.1
Spera, S.2
Barbato, G.3
Kay, L.E.4
Krinks, M.5
Bax, A.6
-
36
-
-
0034753415
-
2 +-calmodulin reveals flexible hand-like properties of its domains
-
2 +-calmodulin reveals flexible hand-like properties of its domains Nat Struct Biol 8 2001 990 997
-
(2001)
Nat Struct Biol
, vol.8
, pp. 990-997
-
-
Chou, J.1
Li, S.2
Klee, C.3
Bax, A.4
-
37
-
-
84879775056
-
The length of the calmodulin linker determines the extent of transient interdomain association and target affinity
-
N.J. Anthis, and G.M. Clore The length of the calmodulin linker determines the extent of transient interdomain association and target affinity J Am Chem Soc 135 2013 9648 9651
-
(2013)
J Am Chem Soc
, vol.135
, pp. 9648-9651
-
-
Anthis, N.J.1
Clore, G.M.2
-
38
-
-
3442896792
-
Single-molecule resonance energy transfer and fluorescence correlation spectroscopy of calmodulin in solution
-
B.D. Slaughter, M.W. Allen, J.R. Unruh, R.J.B. Urbauer, and C.K. Johnson Single-molecule resonance energy transfer and fluorescence correlation spectroscopy of calmodulin in solution J Phys Chem B 108 2004 10388 10397
-
(2004)
J Phys Chem B
, vol.108
, pp. 10388-10397
-
-
Slaughter, B.D.1
Allen, M.W.2
Unruh, J.R.3
Urbauer, R.J.B.4
Johnson, C.K.5
-
40
-
-
0025234725
-
Calmodulin activation of target enzymes: Consequences of deletions in the central helix
-
M.F.A. VanBerkum, S.E. George, and A.R. Means Calmodulin activation of target enzymes: consequences of deletions in the central helix J Biol Chem 265 1990 3750 3756
-
(1990)
J Biol Chem
, vol.265
, pp. 3750-3756
-
-
Vanberkum, M.F.A.1
George, S.E.2
Means, A.R.3
-
41
-
-
0029959124
-
Bending of the calmodulin central helix: A theoretical study
-
D. van der Spoel, B. de Groot, S. Hayward, H. Berendensen, and H. Vogel Bending of the calmodulin central helix: a theoretical study Protein Sci 5 1996 2044 2053
-
(1996)
Protein Sci
, vol.5
, pp. 2044-2053
-
-
Van Der Spoel, D.1
De Groot, B.2
Hayward, S.3
Berendensen, H.4
Vogel, H.5
-
42
-
-
0023053635
-
Effect of anisotropy and anharmonicity on protein crystallographic refinement: An evaluation by molecular dynamics
-
J. Kuriyan, G.A. Petsko, R.M. Levy, and M. Karplus Effect of anisotropy and anharmonicity on protein crystallographic refinement: an evaluation by molecular dynamics J Mol Biol 190 1986 227 254
-
(1986)
J Mol Biol
, vol.190
, pp. 227-254
-
-
Kuriyan, J.1
Petsko, G.A.2
Levy, R.M.3
Karplus, M.4
-
43
-
-
33846532929
-
The MUMO (minimal under-restraining minimal over-restraining) method for the determination of native state ensembles of proteins
-
B. Richter, J. Gsponer, P. Varnai, X. Salvatella, and M. Vendruscolo The MUMO (minimal under-restraining minimal over-restraining) method for the determination of native state ensembles of proteins J Biomol NMR 37 2007 117 135
-
(2007)
J Biomol NMR
, vol.37
, pp. 117-135
-
-
Richter, B.1
Gsponer, J.2
Varnai, P.3
Salvatella, X.4
Vendruscolo, M.5
-
44
-
-
84986512474
-
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
-
B.R. Brooks, R.E. Bruccoleri, B.D. Olafson, D.J. States, S. Swaminathan, and M. Karplus CHARMM: a program for macromolecular energy, minimization, and dynamics calculations J Comput Chem 4 1983 187 217
-
(1983)
J Comput Chem
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
45
-
-
77956478902
-
Sparta +: A modest improvement in empirical NMR chemical shift prediction by means of an artificial neural network
-
Y. Shen, and A. Bax Sparta +: a modest improvement in empirical NMR chemical shift prediction by means of an artificial neural network J Biomol NMR 48 2010 13 22
-
(2010)
J Biomol NMR
, vol.48
, pp. 13-22
-
-
Shen, Y.1
Bax, A.2
-
46
-
-
67649494492
-
Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptides
-
R.B. Best, and G. Hummer Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptides J Phys Chem B 113 2009 9004 9015
-
(2009)
J Phys Chem B
, vol.113
, pp. 9004-9015
-
-
Best, R.B.1
Hummer, G.2
-
47
-
-
0025719432
-
Structure of a recombinant calmodulin from Drosophila melanogaster refined at 2.2-Å resolution
-
D. Taylor, J. Sack, J. Maune, K. Beckingham, and F. Quiocho Structure of a recombinant calmodulin from Drosophila melanogaster refined at 2.2-Å resolution J Biol Chem 266 1991 21375 21380
-
(1991)
J Biol Chem
, vol.266
, pp. 21375-21380
-
-
Taylor, D.1
Sack, J.2
Maune, J.3
Beckingham, K.4
Quiocho, F.5
-
49
-
-
70349627256
-
Fast and accurate predictions of protein NMR chemical shifts from interatomic distances
-
K.J. Kohlhoff, P. Robustelli, A. Cavalli, X. Salvatella, and M. Vendruscolo Fast and accurate predictions of protein NMR chemical shifts from interatomic distances J Am Chem Soc 131 2009 13894 13895
-
(2009)
J Am Chem Soc
, vol.131
, pp. 13894-13895
-
-
Kohlhoff, K.J.1
Robustelli, P.2
Cavalli, A.3
Salvatella, X.4
Vendruscolo, M.5
-
51
-
-
46249092554
-
Gromacs 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
-
B. Hess, C. Kutzner, D. van der Spoel, and E. Lindahl Gromacs 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation J Chem Theory Comput 4 2008 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
-
52
-
-
33645961739
-
A smooth particle mesh Ewald method
-
U. Essmann, L. Perera, M. Berkowitz, T. Darden, H. Lee, and L. Pedersen A smooth particle mesh Ewald method J Chem Phys 103 1995 8577 8593
-
(1995)
J Chem Phys
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.3
Darden, T.4
Lee, H.5
Pedersen, L.6
-
53
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
W. Jorgensen, J. Chandrasekhar, J. Madura, R. Impey, and M. Klein Comparison of simple potential functions for simulating liquid water J Chem Phys 79 1983 926 935
-
(1983)
J Chem Phys
, vol.79
, pp. 926-935
-
-
Jorgensen, W.1
Chandrasekhar, J.2
Madura, J.3
Impey, R.4
Klein, M.5
-
54
-
-
69349100797
-
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
-
M. Bonomi, D. Branduardi, G. Bussi, C. Camilloni, D. Provasi, and P. Raiteri et al. PLUMED: a portable plugin for free-energy calculations with molecular dynamics Comp Phys Comm 180 2009 1961 1972
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(2009)
Comp Phys Comm
, vol.180
, pp. 1961-1972
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Bonomi, M.1
Branduardi, D.2
Bussi, G.3
Camilloni, C.4
Provasi, D.5
Raiteri, P.6
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