-
1
-
-
0029852678
-
Loss of morphine-induced analgesia, reward effect and withdrawal symptoms in mice lacking the m-opioid-receptor gene
-
Matthes, H. W. et al. Loss of morphine-induced analgesia, reward effect and withdrawal symptoms in mice lacking the m-opioid-receptor gene. Nature 383, 819-823 (1996).
-
(1996)
Nature
, vol.383
, pp. 819-823
-
-
Matthes, H.W.1
-
2
-
-
0027314056
-
A brief history of opiates, opioid peptides, and opioid receptors
-
Brownstein, M. J. A brief history of opiates, opioid peptides, and opioid receptors. Proc. Natl Acad. Sci. USA 90, 5391-5393 (1993).
-
(1993)
Proc. Natl Acad. Sci. USA
, vol.90
, pp. 5391-5393
-
-
Brownstein, M.J.1
-
4
-
-
23944485741
-
Morphine side effects in b-arrestin 2 knockout mice
-
Raehal, K. M., Walker, J. K. & Bohn, L. M. Morphine side effects in b-arrestin 2 knockout mice. J. Pharmacol. Exp. Ther. 314, 1195-1201 (2005).
-
(2005)
J. Pharmacol. Exp. Ther.
, vol.314
, pp. 1195-1201
-
-
Raehal, K.M.1
Walker, J.K.2
Bohn, L.M.3
-
5
-
-
0034619796
-
M-Opioid receptor desensitization by b-arrestin-2 determines morphine tolerance but not dependence
-
Bohn, L. M., Gainetdinov, R. R., Lin, F.-T., Lefkowitz, R. J. & Caron, M. G. m-Opioid receptor desensitization by b-arrestin-2 determines morphine tolerance but not dependence. Nature 408, 720-723 (2000).
-
(2000)
Nature
, vol.408
, pp. 720-723
-
-
Bohn, L.M.1
Gainetdinov, R.R.2
Lin, F.-T.3
Lefkowitz, R.J.4
Caron, M.G.5
-
6
-
-
0033601341
-
Enhanced morphine analgesia in mice lacking b-arrestin 2
-
Bohn, L. M. et al. Enhanced morphine analgesia in mice lacking b-arrestin 2. Science 286, 2495-2498 (1999).
-
(1999)
Science
, vol.286
, pp. 2495-2498
-
-
Bohn, L.M.1
-
7
-
-
84876675044
-
Muopioids andtheir receptors: Evolution of a concept
-
Pasternak,G.W.&Pan, Y.-X.Muopioids andtheir receptors: evolution of a concept. Pharmacol. Rev. 65, 1257-1317 (2013).
-
(2013)
Pharmacol. Rev.
, vol.65
, pp. 1257-1317
-
-
Pasternak, G.W.1
Pan, Y.-X.2
-
8
-
-
0345158331
-
Specific receptor for the opioid peptide dynorphin: Structure-activity relationships
-
Chavkin, C. & Goldstein, A. Specific receptor for the opioid peptide dynorphin: structure-activity relationships. Proc. Natl Acad. Sci. USA 78, 6543-6547 (1981).
-
(1981)
Proc. Natl Acad. Sci. USA
, vol.78
, pp. 6543-6547
-
-
Chavkin, C.1
Goldstein, A.2
-
9
-
-
84861096654
-
Crystal structure of the m-opioid receptor bound to a morphinan antagonist
-
Manglik, A. et al. Crystal structure of the m-opioid receptor bound to a morphinan antagonist. Nature 485, 321-326 (2012).
-
(2012)
Nature
, vol.485
, pp. 321-326
-
-
Manglik, A.1
-
10
-
-
84861075468
-
Structure of the d-opioid receptor bound to naltrindole
-
Granier, S. et al. Structure of the d-opioid receptor bound to naltrindole. Nature 485, 400-404 (2012).
-
(2012)
Nature
, vol.485
, pp. 400-404
-
-
Granier, S.1
-
11
-
-
84893954062
-
Molecular control of d-opioid receptor signalling
-
Fenalti, G. et al. Molecular control of d-opioid receptor signalling. Nature 506, 191-196 (2014).
-
(2014)
Nature
, vol.506
, pp. 191-196
-
-
Fenalti, G.1
-
12
-
-
78651411166
-
Structure of a nanobody-stabilized active state of the b2 adrenoceptor
-
Rasmussen, S. G. F. et al. Structure of a nanobody-stabilized active state of the b2 adrenoceptor. Nature 469, 175-180 (2011).
-
(2011)
Nature
, vol.469
, pp. 175-180
-
-
Rasmussen, S.G.F.1
-
13
-
-
84886947656
-
Adrenaline-activated structure of b2-adrenoceptor stabilized by an engineered nanobody
-
Ring, A. M. et al. Adrenaline-activated structure of b2-adrenoceptor stabilized by an engineered nanobody. Nature 502, 575-579 (2013).
-
(2013)
Nature
, vol.502
, pp. 575-579
-
-
Ring, A.M.1
-
14
-
-
36448995359
-
High-resolution crystal structure of an engineered human b2-adrenergic G protein-coupled receptor
-
Cherezov, V. et al. High-resolution crystal structure of an engineered human b2-adrenergic G protein-coupled receptor. Science 318, 1258-1265 (2007).
-
(2007)
Science
, vol.318
, pp. 1258-1265
-
-
Cherezov, V.1
-
15
-
-
36448978229
-
GPCR engineering yields high-resolution structural insights into b2-adrenergic receptor function
-
Rosenbaum, D. M. et al. GPCR engineering yields high-resolution structural insights into b2-adrenergic receptor function. Science 318, 1266-1273 (2007).
-
(2007)
Science
, vol.318
, pp. 1266-1273
-
-
Rosenbaum, D.M.1
-
16
-
-
84862777405
-
Structure of the humanM2muscarinic acetylcholine receptor bound to an antagonist
-
Haga, K. et al. Structure of the humanM2muscarinic acetylcholine receptor bound to an antagonist. Nature 482, 547-551 (2012).
-
(2012)
Nature
, vol.482
, pp. 547-551
-
-
Haga, K.1
-
17
-
-
84889564886
-
Activation and allostericmodulation of amuscarinic acetylcholine receptor
-
Kruse, A.C. et al. Activation and allostericmodulation of amuscarinic acetylcholine receptor. Nature 504, 101-106 (2013).
-
(2013)
Nature
, vol.504
, pp. 101-106
-
-
Kruse, A.C.1
-
18
-
-
0034604451
-
Crystal structure of rhodopsin: A G protein-coupled receptor
-
Palczewski, K. et al. Crystal structure of rhodopsin: a G protein-coupled receptor. Science 289, 739-745 (2000).
-
(2000)
Science
, vol.289
, pp. 739-745
-
-
Palczewski, K.1
-
19
-
-
79953234218
-
Crystal structure of metarhodopsin II
-
Choe, H.-W. et al. Crystal structure of metarhodopsin II. Nature 471, 651-655 (2011).
-
(2011)
Nature
, vol.471
, pp. 651-655
-
-
Choe, H.-W.1
-
20
-
-
78651399683
-
Structure and function of an irreversible agonist-b2 adrenoceptor complex
-
Rosenbaum, D. M. et al. Structure and function of an irreversible agonist-b2 adrenoceptor complex. Nature 469, 236-240 (2011).
-
(2011)
Nature
, vol.469
, pp. 236-240
-
-
Rosenbaum, D.M.1
-
21
-
-
84873298278
-
The dynamic process of b2-adrenergic receptor activation
-
Nygaard, R. et al. The dynamic process of b2-adrenergic receptor activation. Cell 152, 532-542 (2013).
-
(2013)
Cell
, vol.152
, pp. 532-542
-
-
Nygaard, R.1
-
22
-
-
84893980520
-
The role of protein dynamics in GPCR function: Insights from the b2AR and rhodopsin
-
Manglik, A. & Kobilka, B. The role of protein dynamics in GPCR function: insights from the b2AR and rhodopsin. Curr. Opin. Cell Biol. 27, 136-143 (2014).
-
(2014)
Curr. Opin. Cell Biol.
, vol.27
, pp. 136-143
-
-
Manglik, A.1
Kobilka, B.2
-
23
-
-
84930226866
-
Structural insights into the dynamic process of b2-adrenergic receptor signaling
-
Manglik, A. et al. Structural insights into the dynamic process of b2-adrenergic receptor signaling. Cell 161, 1101-1111 (2015).
-
(2015)
Cell
, vol.161
, pp. 1101-1111
-
-
Manglik, A.1
-
24
-
-
0019137579
-
A ternary complex model explains the agonist-specific binding properties of the adenylate cyclase-coupled b-adrenergic receptor
-
De Lean, A., Stadel, J. M. & Lefkowitz, R. J. A ternary complex model explains the agonist-specific binding properties of the adenylate cyclase-coupled b-adrenergic receptor. J. Biol. Chem. 255, 7108-7117 (1980).
-
(1980)
J. Biol. Chem.
, vol.255
, pp. 7108-7117
-
-
De Lean, A.1
Stadel, J.M.2
Lefkowitz, R.J.3
-
25
-
-
80051658642
-
Crystal structure of the b2 adrenergic receptor-Gs protein complex
-
Rasmussen,S.G. F. et al. Crystal structure of the b2 adrenergic receptor-Gs protein complex. Nature 477, 549-555 (2011).
-
(2011)
Nature
, vol.477
, pp. 549-555
-
-
Rasmussen, S.G.F.1
-
26
-
-
0033748070
-
Synthesis and in vitro opioid activity profiles of DALDA analogues
-
Schiller, P. W. et al. Synthesis and in vitro opioid activity profiles of DALDA analogues. Eur. J. Med. Chem. 35, 895-901 (2000).
-
(2000)
Eur. J. Med. Chem.
, vol.35
, pp. 895-901
-
-
Schiller, P.W.1
-
27
-
-
19344377012
-
Characterization of the complexmorphinan derivative BU72 as a high efficacy, long-lasting mu-opioid receptor agonist
-
Neilan, C. L. et al. Characterization of the complexmorphinan derivative BU72 as a high efficacy, long-lasting mu-opioid receptor agonist. Eur. J. Pharmacol. 499, 107-116 (2004).
-
(2004)
Eur. J. Pharmacol.
, vol.499
, pp. 107-116
-
-
Neilan, C.L.1
-
28
-
-
66049128793
-
Crystallizing membrane proteins for structure determination: Use of lipidic mesophases
-
Caffrey, M. Crystallizing membrane proteins for structure determination: use of lipidic mesophases. Annu. Rev. Biophys. 38, 29-51 (2009).
-
(2009)
Annu. Rev. Biophys.
, vol.38
, pp. 29-51
-
-
Caffrey, M.1
-
29
-
-
77957055780
-
Integrated methods for the construction of threedimensionalmodels and computational probing of structure-function relations in G protein-coupled receptors
-
Ballesteros, J. A. & Weinstein, H. Integrated methods for the construction of threedimensionalmodels and computational probing of structure-function relations in G protein-coupled receptors. Methods Neurosci. 25, 366-428 (1995).
-
(1995)
Methods Neurosci.
, vol.25
, pp. 366-428
-
-
Ballesteros, J.A.1
Weinstein, H.2
-
30
-
-
84862777742
-
Structure of the human k-opioid receptor in complex with JDTic
-
Wu, H. et al. Structure of the human k-opioid receptor in complex with JDTic. Nature 485, 327-332 (2012).
-
(2012)
Nature
, vol.485
, pp. 327-332
-
-
Wu, H.1
-
31
-
-
84939832832
-
Propagation of conformational changes during m-opioid receptor activation
-
Sounier, R. et al. Propagation of conformational changes during m-opioid receptor activation. Nature http://dx.doi.org/10.1038/nature14680 (2015).
-
(2015)
Nature
-
-
Sounier, R.1
-
32
-
-
0034629233
-
M Opioid receptor: Role for the amino terminus as a determinant of ligand binding affinity
-
Chaturvedi, K., Shahrestanifar, M. & Howells, R. D. m Opioid receptor: role for the amino terminus as a determinant of ligand binding affinity. Brain Res. Mol. Brain Res. 76, 64-72 (2000).
-
(2000)
Brain Res. Mol. Brain Res.
, vol.76
, pp. 64-72
-
-
Chaturvedi, K.1
Shahrestanifar, M.2
Howells, R.D.3
-
33
-
-
33748355624
-
Probing the activation-promoted structural rearrangements in preassembled receptor-Gprotein complexes
-
Gales, C. et al. Probing the activation-promoted structural rearrangements in preassembled receptor-Gprotein complexes.Nature Struct.Mol.Biol. 13, 778-786 (2006).
-
(2006)
Nature Struct.Mol.Biol
, vol.13
, pp. 778-786
-
-
Gales, C.1
-
34
-
-
14044279736
-
BU74, a complex oripavine derivative with potent kappa opioid receptor agonism and delayed opioid antagonism
-
Husbands, S. M. et al. BU74, a complex oripavine derivative with potent kappa opioid receptor agonism and delayed opioid antagonism. Eur. J. Pharmacol. 509, 117-125 (2005).
-
(2005)
Eur. J. Pharmacol.
, vol.509
, pp. 117-125
-
-
Husbands, S.M.1
-
35
-
-
0019427430
-
The irreversible narcotic antagonistic and reversible agonistic properties of the fumaramate methyl ester derivative of naltrexone
-
Takemori, A. E., Larson, D. L. & Portoghese, P. S. The irreversible narcotic antagonistic and reversible agonistic properties of the fumaramate methyl ester derivative of naltrexone. Eur. J. Pharmacol. 70, 445-451 (1981).
-
(1981)
Eur. J. Pharmacol.
, vol.70
, pp. 445-451
-
-
Takemori, A.E.1
Larson, D.L.2
Portoghese, P.S.3
-
36
-
-
84871411930
-
High-resolution crystal structure of human protease-activated receptor 1
-
Zhang, C. et al. High-resolution crystal structure of human protease-activated receptor 1. Nature 492, 387-392 (2012).
-
(2012)
Nature
, vol.492
, pp. 387-392
-
-
Zhang, C.1
-
37
-
-
84861961427
-
Structural basis for allosteric regulation of GPCRs by sodium ions
-
Liu, W. et al. Structural basis for allosteric regulation of GPCRs by sodium ions. Science 337, 232-236 (2012).
-
(2012)
Science
, vol.337
, pp. 232-236
-
-
Liu, W.1
-
38
-
-
84899714976
-
The 2.1A° resolution structure of cyanopindolol-bound b1-adrenoceptor identifies an intramembrane Na1 ion that stabilises the ligandfree receptor
-
Miller-Gallacher, J. L. et al. The 2.1A° resolution structure of cyanopindolol-bound b1-adrenoceptor identifies an intramembrane Na1 ion that stabilises the ligandfree receptor. PLoS ONE 9, e92727 (2014).
-
(2014)
PLoS ONE
, vol.9
-
-
Miller-Gallacher, J.L.1
-
39
-
-
0015821183
-
Opiate agonists and antagonists discriminated by receptor binding in brain
-
Pert, C. B., Pasternak, G. & Snyder, S. H. Opiate agonists and antagonists discriminated by receptor binding in brain. Science 182, 1359-1361 (1973).
-
(1973)
Science
, vol.182
, pp. 1359-1361
-
-
Pert, C.B.1
Pasternak, G.2
Snyder, S.H.3
-
40
-
-
84930226866
-
Structural insights into the dynamic process of b2-adrenergic receptor signaling
-
Manglik, A. et al. Structural insights into the dynamic process of b2-adrenergic receptor signaling. Cell 161, 1101-1111 (2015).
-
(2015)
Cell
, vol.161
, pp. 1101-1111
-
-
Manglik, A.1
-
41
-
-
47049130668
-
Crystal structure of the ligand-free G-protein-coupled receptor opsin
-
Park, J. H.,Scheerer, P.,Hofmann,K.P.,Choe, H. W.&Ernst,O.P. Crystal structure of the ligand-free G-protein-coupled receptor opsin. Nature 454, 183-187 (2008).
-
(2008)
Nature
, vol.454
, pp. 183-187
-
-
Park, J.H.1
Scheerer, P.2
Hofmann, K.P.3
Choe, H.W.4
Ernst, O.P.5
-
42
-
-
41949093679
-
Rhodopsin and 9-demethyl-retinal analog: Effect of a partial agonist on displacement of transmembrane helix 6 in class A G protein-coupled receptors
-
Knierim,B., Hofmann, K. P.,Gartner,W., Hubbell, W. L.&Ernst,O.P.Rhodopsin and 9-demethyl-retinal analog: effect of a partial agonist on displacement of transmembrane helix 6 in class A G protein-coupled receptors. J. Biol. Chem. 283, 4967-4974 (2008).
-
(2008)
J. Biol. Chem.
, vol.283
, pp. 4967-4974
-
-
Knierim, B.1
Hofmann, K.P.2
Gartner, W.3
Hubbell, W.L.4
Ernst, O.P.5
-
43
-
-
84894623293
-
A general protocol for the generation of nanobodies for structural biology
-
Pardon, E. et al. A general protocol for the generation of nanobodies for structural biology. Nature Protocols 9, 674-693 (2014).
-
(2014)
Nature Protocols
, vol.9
, pp. 674-693
-
-
Pardon, E.1
-
44
-
-
34250666273
-
A monomeric G protein-coupled receptor isolated in a highdensity lipoprotein particle efficiently activates its G protein
-
Whorton, M. R. et al. A monomeric G protein-coupled receptor isolated in a highdensity lipoprotein particle efficiently activates its G protein. Proc. Natl Acad. Sci. USA 104, 7682-7687 (2007).
-
(2007)
Proc. Natl Acad. Sci. USA
, vol.104
, pp. 7682-7687
-
-
Whorton, M.R.1
-
45
-
-
70350381113
-
Purification and functional reconstitution of monomeric muopioid receptors: Allosteric modulation of agonist binding by Gi2
-
Kuszak, A. J. et al. Purification and functional reconstitution of monomeric muopioid receptors: allosteric modulation of agonist binding by Gi2. J. Biol. Chem. 284, 26732-26741 (2009).
-
(2009)
J. Biol. Chem.
, vol.284
, pp. 26732-26741
-
-
Kuszak, A.J.1
-
46
-
-
0021336303
-
The kinetics of competitive radioligand binding predicted by the law of mass action
-
Motulsky, H. J. & Mahan, L. C. The kinetics of competitive radioligand binding predicted by the law of mass action. Mol. Pharmacol. 25, 1-9 (1984).
-
(1984)
Mol. Pharmacol.
, vol.25
, pp. 1-9
-
-
Motulsky, H.J.1
Mahan, L.C.2
-
47
-
-
67649392795
-
Crystallizing membrane proteins using lipidic mesophases
-
Caffrey, M. & Cherezov, V. Crystallizing membrane proteins using lipidic mesophases. Nature Protocols 4, 706-731 (2009).
-
(2009)
Nature Protocols
, vol.4
, pp. 706-731
-
-
Caffrey, M.1
Cherezov, V.2
-
49
-
-
34447508216
-
Phaser crystallographic software
-
McCoy, A. J. et al. Phaser crystallographic software. J. Appl. Cryst. 40, 658-674 (2007).
-
(2007)
J. Appl. Cryst.
, vol.40
, pp. 658-674
-
-
McCoy, A.J.1
-
50
-
-
13244281317
-
Coot: Model-building tools for molecular graphics
-
Emsley, P. & Cowtan, K. Coot: model-building tools for molecular graphics. Acta Crystallogr. D 60, 2126-2132 (2004).
-
(2004)
Acta Crystallogr. D
, vol.60
, pp. 2126-2132
-
-
Emsley, P.1
Cowtan, K.2
-
51
-
-
84860273177
-
Towards automated crystallographic structure refinement with phenix.refine
-
Afonine, P. V. et al. Towards automated crystallographic structure refinement with phenix.refine. Acta Crystallogr. D 68, 352-367 (2012).
-
(2012)
Acta Crystallogr. D
, vol.68
, pp. 352-367
-
-
Afonine, P.V.1
-
52
-
-
74549178560
-
MolProbity: All-atom structure validation for macromolecular crystallography
-
Chen, V. B. et al. MolProbity: all-atom structure validation for macromolecular crystallography. Acta Crystallogr. D 66, 12-21 (2010).
-
(2010)
Acta Crystallogr. D
, vol.66
, pp. 12-21
-
-
Chen, V.B.1
-
53
-
-
33644861214
-
OPM: Orientations of proteins in membranes database
-
Lomize, M. A., Lomize, A. L., Pogozheva, I. D. & Mosberg, H. I. OPM: orientations of proteins in membranes database. Bioinformatics 22, 623-625 (2006).
-
(2006)
Bioinformatics
, vol.22
, pp. 623-625
-
-
Lomize, M.A.1
Lomize, A.L.2
Pogozheva, I.D.3
Mosberg, H.I.4
-
54
-
-
67650500988
-
CHARMM: The biomolecular simulation program
-
Brooks, B. R. et al. CHARMM: The biomolecular simulation program. J. Comput. Chem. 30, 1545-1614 (2009).
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 1545-1614
-
-
Brooks, B.R.1
-
55
-
-
41149134824
-
Automated builder and database of protein/membrane complexes for molecular dynamics simulations
-
Jo, S., Kim, T. & Im, W. Automated builder and database of protein/membrane complexes for molecular dynamics simulations. PLoS ONE 2, e880 (2007).
-
(2007)
PLoS ONE
, vol.2
, pp. e880
-
-
Jo, S.1
Kim, T.2
Im, W.3
-
56
-
-
47149096704
-
CHARMM-GUI: A web-based graphical user interface for CHARMM
-
Jo, S., Kim, T., Iyer, V. G. & Im, W. CHARMM-GUI: a web-based graphical user interface for CHARMM. J. Comput. Chem. 29, 1859-1865 (2008).
-
(2008)
J. Comput. Chem.
, vol.29
, pp. 1859-1865
-
-
Jo, S.1
Kim, T.2
Iyer, V.G.3
Im, W.4
-
57
-
-
84908606620
-
CHARMM-GUI Membrane Builder toward realistic biological membrane simulations
-
Wu, E. L. et al. CHARMM-GUI Membrane Builder toward realistic biological membrane simulations. J. Comput. Chem. 35, 1997-2004 (2014).
-
(2014)
J. Comput. Chem.
, vol.35
, pp. 1997-2004
-
-
Wu, E.L.1
-
58
-
-
84921063481
-
-
University of California, San Francisco
-
Case, D. A. et al. AMBER 14. (University of California, San Francisco, 2014).
-
(2014)
AMBER
, vol.14
-
-
Case, D.A.1
-
59
-
-
84868214675
-
SPFP: Speed without compromise - A mixed precision model for GPU accelerated molecular dynamics simulations
-
Le Grand, S., Götz, A. W. & Walker, R. C. SPFP: Speed without compromise - A mixed precision model for GPU accelerated molecular dynamics simulations. Comput. Phys. Commun. 184, 374-380 (2013).
-
(2013)
Comput. Phys. Commun.
, vol.184
, pp. 374-380
-
-
Le Grand, S.1
Götz, A.W.2
Walker, R.C.3
-
60
-
-
84884192184
-
Routine microsecond molecular dynamics simulations with Amber on GPUS. 2 Explicit solvent particle mesh Ewald
-
Salomon-Ferrer, R., Götz, A. W., Poole, D., Le Grand, S. & Walker, R. C. Routine microsecond molecular dynamics simulations with Amber on GPUs. 2 Explicit solvent particle mesh Ewald. J. Chem. Theory Comput. 9, 3878-3888 (2013).
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 3878-3888
-
-
Salomon-Ferrer, R.1
Götz, A.W.2
Poole, D.3
Le Grand, S.4
Walker, R.C.5
-
61
-
-
84865723813
-
Optimization of the additive CHARMM all-atomprotein force field targeting improved sampling of the backbone w, y and side-chain x1 and x2 dihedral angles
-
Best, R. B. et al. Optimization of the additive CHARMM all-atomprotein force field targeting improved sampling of the backbone w, y and side-chain x1 and x2 dihedral angles. J. Chem. Theory Comput. 8, 3257-3273 (2012).
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 3257-3273
-
-
Best, R.B.1
-
62
-
-
77953377650
-
Update of the CHARMM all-atom additive force field for lipids: Validation on six lipid types
-
Klauda, J. B. et al. Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types. J. Phys. Chem. B 114, 7830-7843 (2010).
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 7830-7843
-
-
Klauda, J.B.1
-
63
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics studies of proteins
-
MacKerell, A. D. et al. All-atom empirical potential for molecular modeling and dynamics studies of proteins. J. Phys. Chem. B 102, 3586-3616 (1998).
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 3586-3616
-
-
MacKerell, A.D.1
-
64
-
-
3142714765
-
Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantummechanics in reproducing protein conformational distributions in molecular dynamics simulations
-
Mackerell, A. D., Feig, M. & Brooks, C. L. Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantummechanics in reproducing protein conformational distributions in molecular dynamics simulations. J. Comput. Chem. 25, 1400-1415 (2004).
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1400-1415
-
-
MacKerell, A.D.1
Feig, M.2
Brooks, C.L.3
-
65
-
-
76249087938
-
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atomadditive biological force fields
-
Vanommeslaeghe, K. et al. CHARMM general force field: a force field for drug-like molecules compatible with the CHARMM all-atomadditive biological force fields. J. Comput. Chem. 31, 671-690 (2010).
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 671-690
-
-
Vanommeslaeghe, K.1
-
66
-
-
0029878720
-
VMD: Visual molecular dynamics
-
Humphrey, W., Dalke, A. & Schulten, K. VMD: visual molecular dynamics. J. Mol. Graph. 14, 33-38 (1996).
-
(1996)
J. Mol. Graph.
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
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