-
1
-
-
84930644403
-
The voltage-gated proton channel: a riddle, wrapped in a mystery, inside an enigma
-
COI: 1:CAS:528:DC%2BC2MXotFCiur4%3D
-
DeCoursey, T. E. The voltage-gated proton channel: a riddle, wrapped in a mystery, inside an enigma. Biochemistry 54, 3250–3268 (2015).
-
(2015)
Biochemistry
, vol.54
, pp. 3250-3268
-
-
DeCoursey, T.E.1
-
2
-
-
0015302470
-
Bioluminescence: mechanism and mode of control of scintillon activity
-
COI: 1:CAS:528:DyaE38XhsFSjtLY%3D
-
Fogel, M. & Hastings, J. W. Bioluminescence: mechanism and mode of control of scintillon activity. Proc. Natl Acad. Sci. USA 69, 690–693 (1972).
-
(1972)
Proc. Natl Acad. Sci. USA
, vol.69
, pp. 690-693
-
-
Fogel, M.1
Hastings, J.W.2
-
3
-
-
84868122687
-
Function of proton channels in lung epithelia
-
COI: 1:CAS:528:DC%2BC38Xht1SqtrnM
-
Fischer, H. Function of proton channels in lung epithelia. Wiley Interdiscip. Rev. Membr. Transp. Signal 1, 247–258 (2012).
-
(2012)
Wiley Interdiscip. Rev. Membr. Transp. Signal
, vol.1
, pp. 247-258
-
-
Fischer, H.1
-
4
-
-
78650636945
-
A proton current drives action potentials in genetically identified sour taste cells
-
COI: 1:CAS:528:DC%2BC3MXislyq
-
Chang, R. B., Waters, H. & Liman, E. R. A proton current drives action potentials in genetically identified sour taste cells. Proc. Natl Acad. Sci. USA 107, 22320–22325 (2010).
-
(2010)
Proc. Natl Acad. Sci. USA
, vol.107
, pp. 22320-22325
-
-
Chang, R.B.1
Waters, H.2
Liman, E.R.3
-
6
-
-
0034830227
-
Decrease in rat taste receptor cell intracellular pH is the proximate stimulus in sour taste transduction
-
COI: 1:CAS:528:DC%2BD3MXmvFCnsr4%3D
-
Lyall, V. et al. Decrease in rat taste receptor cell intracellular pH is the proximate stimulus in sour taste transduction. Am. J. Physiol. Cell Physiol. 281, C1005–C1013 (2001).
-
(2001)
Am. J. Physiol. Cell Physiol.
, vol.281
, pp. C1005-C1013
-
-
Lyall, V.1
-
7
-
-
84862210687
-
Voltage-gated proton channels
-
PID: 23798303
-
Decoursey, T. E. Voltage-gated proton channels. Compr. Physiol. 2, 1355–1385 (2012).
-
(2012)
Compr. Physiol.
, vol.2
, pp. 1355-1385
-
-
Decoursey, T.E.1
-
8
-
-
33646358260
-
A voltage-gated proton-selective channel lacking the pore domain
-
COI: 1:CAS:528:DC%2BD28XjvVGltb0%3D
-
Ramsey, I. S., Moran, M. M., Chong, J. A. & Clapham, D. E. A voltage-gated proton-selective channel lacking the pore domain. Nature 440, 1213–1216 (2006).
-
(2006)
Nature
, vol.440
, pp. 1213-1216
-
-
Ramsey, I.S.1
Moran, M.M.2
Chong, J.A.3
Clapham, D.E.4
-
9
-
-
33646229810
-
A voltage sensor-domain protein is a voltage-gated proton channel
-
COI: 1:CAS:528:DC%2BD28XjvVGktbg%3D
-
Sasaki, M., Takagi, M. & Okamura, Y. A voltage sensor-domain protein is a voltage-gated proton channel. Science 312, 589–592 (2006).
-
(2006)
Science
, vol.312
, pp. 589-592
-
-
Sasaki, M.1
Takagi, M.2
Okamura, Y.3
-
10
-
-
85041207454
-
An evolutionarily conserved gene family encodes proton-selective ion channels
-
COI: 1:CAS:528:DC%2BC1cXjtlGqtLs%3D
-
Tu, Y. H. et al. An evolutionarily conserved gene family encodes proton-selective ion channels. Science 359, 1047–1050 (2018).
-
(2018)
Science
, vol.359
, pp. 1047-1050
-
-
Tu, Y.H.1
-
11
-
-
0037386836
-
Non-syndromic vestibular disorder with otoconial agenesis in tilted/mergulhador mice caused by mutations in otopetrin 1
-
COI: 1:CAS:528:DC%2BD3sXjt12qsL4%3D
-
Hurle, B. et al. Non-syndromic vestibular disorder with otoconial agenesis in tilted/mergulhador mice caused by mutations in otopetrin 1. Hum. Mol. Genet. 12, 777–789 (2003).
-
(2003)
Hum. Mol. Genet.
, vol.12
, pp. 777-789
-
-
Hurle, B.1
-
12
-
-
9944244222
-
Otopetrin 1 is required for otolith formation in the zebrafish danio rerio
-
COI: 1:CAS:528:DC%2BD2cXhtVCgurvL
-
Hughes, I. et al. Otopetrin 1 is required for otolith formation in the zebrafish danio rerio. Dev. Biol. 276, 391–402 (2004).
-
(2004)
Dev. Biol.
, vol.276
, pp. 391-402
-
-
Hughes, I.1
-
13
-
-
10944219719
-
Mutated otopetrin 1 affects the genesis of otoliths and the localization of Starmaker in zebrafish
-
Sollner, C., Schwarz, H., Geisler, R. & Nicolson, T. Mutated otopetrin 1 affects the genesis of otoliths and the localization of Starmaker in zebrafish. Dev. Genes Evol. 214, 582–590 (2004).
-
(2004)
Dev. Genes Evol.
, vol.214
, pp. 582-590
-
-
Sollner, C.1
Schwarz, H.2
Geisler, R.3
Nicolson, T.4
-
14
-
-
84897862540
-
Otopetrin 1 protects mice from obesity-associated metabolic dysfunction through attenuating adipose tissue inflammation
-
COI: 1:CAS:528:DC%2BC2cXls1Oisbk%3D
-
Wang, G. X. et al. Otopetrin 1 protects mice from obesity-associated metabolic dysfunction through attenuating adipose tissue inflammation. Diabetes 63, 1340–1352 (2014).
-
(2014)
Diabetes
, vol.63
, pp. 1340-1352
-
-
Wang, G.X.1
-
15
-
-
76249090489
-
BioGPS: an extensible and customizable portal for querying and organizing gene annotation resources
-
Wu, C. et al. BioGPS: an extensible and customizable portal for querying and organizing gene annotation resources. Genome Biol. 10, R130 (2009).
-
(2009)
Genome Biol.
, vol.10
-
-
Wu, C.1
-
16
-
-
85062586978
-
Colonic epithelial cell diversity in health and inflammatory bowel disease
-
COI: 1:CAS:528:DC%2BC1MXmsVyqurk%3D
-
Parikh, K. et al. Colonic epithelial cell diversity in health and inflammatory bowel disease. Nature 567, 49–55 (2019).
-
(2019)
Nature
, vol.567
, pp. 49-55
-
-
Parikh, K.1
-
17
-
-
33646011258
-
Fluorescence-detection size-exclusion chromatography for precrystallization screening of integral membrane proteins
-
COI: 1:CAS:528:DC%2BD28Xjs1GlurY%3D
-
Kawate, T. & Gouaux, E. Fluorescence-detection size-exclusion chromatography for precrystallization screening of integral membrane proteins. Structure 14, 673–681 (2006).
-
(2006)
Structure
, vol.14
, pp. 673-681
-
-
Kawate, T.1
Gouaux, E.2
-
18
-
-
84955713327
-
Understanding transport by the major facilitator superfamily (MFS): structures pave the way
-
COI: 1:CAS:528:DC%2BC28Xmsl2msw%3D%3D
-
Quistgaard, E. M., Low, C., Guettou, F. & Nordlund, P. Understanding transport by the major facilitator superfamily (MFS): structures pave the way. Nat. Rev. Mol. Cell Biol. 17, 123–132 (2016).
-
(2016)
Nat. Rev. Mol. Cell Biol.
, vol.17
, pp. 123-132
-
-
Quistgaard, E.M.1
Low, C.2
Guettou, F.3
Nordlund, P.4
-
19
-
-
0041353145
-
Structure and mechanism of the lactose permease of Escherichia coli
-
COI: 1:CAS:528:DC%2BD3sXlvVKns7k%3D
-
Abramson, J. et al. Structure and mechanism of the lactose permease of Escherichia coli. Science 301, 610–615 (2003).
-
(2003)
Science
, vol.301
, pp. 610-615
-
-
Abramson, J.1
-
20
-
-
0037057652
-
Crystal structure of bacterial multidrug efflux transporter AcrB
-
COI: 1:CAS:528:DC%2BD38Xns1Ontr0%3D
-
Murakami, S., Nakashima, R., Yamashita, E. & Yamaguchi, A. Crystal structure of bacterial multidrug efflux transporter AcrB. Nature 419, 587–593 (2002).
-
(2002)
Nature
, vol.419
, pp. 587-593
-
-
Murakami, S.1
Nakashima, R.2
Yamashita, E.3
Yamaguchi, A.4
-
21
-
-
85011565405
-
The role of interfacial lipids in stabilizing membrane protein oligomers
-
COI: 1:CAS:528:DC%2BC2sXos1ClsA%3D%3D
-
Gupta, K. et al. The role of interfacial lipids in stabilizing membrane protein oligomers. Nature 541, 421–424 (2017).
-
(2017)
Nature
, vol.541
, pp. 421-424
-
-
Gupta, K.1
-
22
-
-
84897580006
-
Structure of a Class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator
-
COI: 1:CAS:528:DC%2BC2cXlt1eht78%3D
-
Wu, H. X. et al. Structure of a Class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator. Science 344, 58–64 (2014).
-
(2014)
Science
, vol.344
, pp. 58-64
-
-
Wu, H.X.1
-
23
-
-
0345613372
-
Molecular mechanisms for proton transport in membranes
-
COI: 1:CAS:528:DyaE1cXhtVSntb0%3D
-
Nagle, J. F. & Morowitz, H. J. Molecular mechanisms for proton transport in membranes. Proc. Natl Acad. Sci. USA 75, 298–302 (1978).
-
(1978)
Proc. Natl Acad. Sci. USA
, vol.75
, pp. 298-302
-
-
Nagle, J.F.1
Morowitz, H.J.2
-
24
-
-
84867681380
-
Structural basis for proton conduction and inhibition by the influenza M2 protein
-
COI: 1:CAS:528:DC%2BC38XhsFWitrfN
-
Hong, M. & DeGrado, W. F. Structural basis for proton conduction and inhibition by the influenza M2 protein. Protein Sci. 21, 1620–1633 (2012).
-
(2012)
Protein Sci.
, vol.21
, pp. 1620-1633
-
-
Hong, M.1
DeGrado, W.F.2
-
25
-
-
0030881872
-
A functionally defined model for the M2 proton channel of influenza A virus suggests a mechanism for its ion selectivity
-
COI: 1:CAS:528:DyaK2sXmslaqtLY%3D
-
Pinto, L. H. et al. A functionally defined model for the M2 proton channel of influenza A virus suggests a mechanism for its ion selectivity. Proc. Natl Acad. Sci. USA 94, 11301–11306 (1997).
-
(1997)
Proc. Natl Acad. Sci. USA
, vol.94
, pp. 11301-11306
-
-
Pinto, L.H.1
-
26
-
-
77954383905
-
+ permeation pathway in the voltage-gated proton channel Hv1
-
COI: 1:CAS:528:DC%2BC3cXntlSjsLg%3D
-
+ permeation pathway in the voltage-gated proton channel Hv1. Nat. Struct. Mol. Biol. 17, 869–875 (2010).
-
(2010)
Nat. Struct. Mol. Biol.
, vol.17
, pp. 869-875
-
-
Ramsey, I.S.1
-
27
-
-
84929222952
-
Selectivity mechanism of the voltage-gated proton channel, HV1
-
COI: 1:CAS:528:DC%2BC2MXhtFOrsLbM
-
Dudev, T. et al. Selectivity mechanism of the voltage-gated proton channel, HV1. Sci. Rep. 5, 10320 (2015).
-
(2015)
Sci. Rep.
, vol.5
-
-
Dudev, T.1
-
28
-
-
84892574563
-
Hydrophobic plug functions as a gate in voltage-gated proton channels
-
COI: 1:CAS:528:DC%2BC2cXotFKktg%3D%3D
-
Chamberlin, A. et al. Hydrophobic plug functions as a gate in voltage-gated proton channels. Proc. Natl Acad. Sci. USA 111, E273–E282 (2014).
-
(2014)
Proc. Natl Acad. Sci. USA
, vol.111
, pp. E273-E282
-
-
Chamberlin, A.1
-
29
-
-
84919650170
-
Hydrophobic gating in ion channels
-
COI: 1:CAS:528:DC%2BC2cXhtleiur7I
-
Aryal, P., Sansom, M. S. & Tucker, S. J. Hydrophobic gating in ion channels. J. Mol. Biol. 427, 121–130 (2015).
-
(2015)
J. Mol. Biol.
, vol.427
, pp. 121-130
-
-
Aryal, P.1
Sansom, M.S.2
Tucker, S.J.3
-
30
-
-
84890139697
-
Peregrination of the selectivity filter delineates the pore of the human voltage-gated proton channel hHV1
-
COI: 1:CAS:528:DC%2BC3sXhvFOnu7rK
-
Morgan, D. et al. Peregrination of the selectivity filter delineates the pore of the human voltage-gated proton channel hHV1. J. Gen. Physiol. 142, 625–640 (2013).
-
(2013)
J. Gen. Physiol.
, vol.142
, pp. 625-640
-
-
Morgan, D.1
-
31
-
-
85033783034
-
CrossTalk proposal: proton permeation through HV 1 requires transient protonation of a conserved aspartate in the S1 transmembrane helix
-
COI: 1:CAS:528:DC%2BC2sXhs1Chsr3L
-
DeCoursey, T. E. CrossTalk proposal: proton permeation through HV 1 requires transient protonation of a conserved aspartate in the S1 transmembrane helix. J. Physiol. 595, 6793–6795 (2017).
-
(2017)
J. Physiol.
, vol.595
, pp. 6793-6795
-
-
DeCoursey, T.E.1
-
32
-
-
33846021582
-
Charge delocalization in proton channels, I: the aquaporin channels and proton blockage
-
COI: 1:CAS:528:DC%2BD28XhtlCmsr%2FE
-
Chen, H. et al. Charge delocalization in proton channels, I: the aquaporin channels and proton blockage. Biophys. J. 92, 46–60 (2007).
-
(2007)
Biophys. J.
, vol.92
, pp. 46-60
-
-
Chen, H.1
-
33
-
-
85065219757
-
Structural and functional characterization of an otopetrin family proton channel
-
Chen, Q., Zeng, W., She, J., Bai, X. & Jiang, Y. Structural and functional characterization of an otopetrin family proton channel. eLife 8, e46710 (2019).
-
(2019)
Elife
, vol.8
-
-
Chen, Q.1
Zeng, W.2
She, J.3
Bai, X.4
Jiang, Y.5
-
34
-
-
77958177967
-
Engineering extended membrane scaffold proteins for self-assembly of soluble nanoscale lipid bilayers
-
COI: 1:CAS:528:DC%2BC3cXhtlSgsLrJ
-
Grinkova, Y. V., Denisov, I. G. & Sligar, S. G. Engineering extended membrane scaffold proteins for self-assembly of soluble nanoscale lipid bilayers. Protein Eng. Des. Sel. 23, 843–848 (2010).
-
(2010)
Protein Eng. Des. Sel.
, vol.23
, pp. 843-848
-
-
Grinkova, Y.V.1
Denisov, I.G.2
Sligar, S.G.3
-
35
-
-
20544468931
-
Automated molecular microscopy: the new Leginon system
-
COI: 1:CAS:528:DC%2BD2MXlsFCltbg%3D
-
Suloway, C. et al. Automated molecular microscopy: the new Leginon system. J. Struct. Biol. 151, 41–60 (2005).
-
(2005)
J. Struct. Biol.
, vol.151
, pp. 41-60
-
-
Suloway, C.1
-
36
-
-
85014129582
-
MotionCor2: anisotropic correction of beam-induced motion for improved cryo-electron microscopy
-
COI: 1:CAS:528:DC%2BC2sXjt1ags7g%3D
-
Zheng, S. Q. et al. MotionCor2: anisotropic correction of beam-induced motion for improved cryo-electron microscopy. Nat. Methods 14, 331–332 (2017).
-
(2017)
Nat. Methods
, vol.14
, pp. 331-332
-
-
Zheng, S.Q.1
-
37
-
-
84955216953
-
Gctf: real-time CTF determination and correction
-
COI: 1:CAS:528:DC%2BC2MXhvVOqsbzF
-
Zhang, K. Gctf: real-time CTF determination and correction. J. Struct. Biol. 193, 1–12 (2016).
-
(2016)
J. Struct. Biol.
, vol.193
, pp. 1-12
-
-
Zhang, K.1
-
38
-
-
85009208040
-
Accelerated cryo-EM structure determination with parallelisation using GPUs in RELION-2
-
Kimanius, D., Forsberg, B. O., Scheres, S. H. W. & Lindahl, E. Accelerated cryo-EM structure determination with parallelisation using GPUs in RELION-2. eLife 5, e18722 (2016).
-
(2016)
Elife
, vol.5
-
-
Kimanius, D.1
Forsberg, B.O.2
Scheres, S.H.W.3
Lindahl, E.4
-
39
-
-
85011645437
-
A. cryoSPARC: algorithms for rapid unsupervised cryo-EM structure determination
-
COI: 1:CAS:528:DC%2BC2sXitlGisbs%3D
-
Punjani, A., Rubinstein, J. L., Fleet, D. J. & Brubaker, M. A. cryoSPARC: algorithms for rapid unsupervised cryo-EM structure determination. Nat. Methods 14, 290–296 (2017).
-
(2017)
Nat. Methods
, vol.14
, pp. 290-296
-
-
Punjani, A.1
Rubinstein, J.L.2
Fleet, D.J.3
Brubaker, M.4
-
40
-
-
85056950318
-
New tools for automated high-resolution cryo-EM structure determination in RELION-3
-
Zivanov, J. et al. New tools for automated high-resolution cryo-EM structure determination in RELION-3. eLife 7, e42166 (2018).
-
(2018)
eLife
, vol.7
-
-
Zivanov, J.1
-
41
-
-
4444221565
-
UCSF Chimera–a visualization system for exploratory research and analysis
-
COI: 1:CAS:528:DC%2BD2cXmvVOhsbs%3D
-
Pettersen, E. F. et al. UCSF Chimera–a visualization system for exploratory research and analysis. J. Comput. Chem. 25, 1605–1612 (2004).
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1605-1612
-
-
Pettersen, E.F.1
-
42
-
-
85053125915
-
New tools for the analysis and validation of cryo-EM maps and atomic models
-
COI: 1:CAS:528:DC%2BC1cXhs1OrsLzF
-
Afonine, P. V. et al. New tools for the analysis and validation of cryo-EM maps and atomic models. Acta Crystallogr. D 74, 814–840 (2018).
-
(2018)
Acta Crystallogr. D
, vol.74
, pp. 814-840
-
-
Afonine, P.V.1
-
43
-
-
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
-
44
-
-
76449098262
-
PHENIX: a comprehensive Python-based system for macromolecular structure solution
-
COI: 1:CAS:528:DC%2BC3cXhs1Sisbc%3D
-
Adams, P. D. et al. PHENIX: a comprehensive Python-based system for macromolecular structure solution. Acta Crystallogr. D 66, 213–221 (2010).
-
(2010)
Acta Crystallogr. D
, vol.66
, pp. 213-221
-
-
Adams, P.D.1
-
45
-
-
84996565974
-
Automated structure refinement of macromolecular assemblies from cryo-EM maps using Rosetta
-
Wang, R. Y. R. et al. Automated structure refinement of macromolecular assemblies from cryo-EM maps using Rosetta. eLife 5, e17219 (2016).
-
(2016)
eLife
, vol.5
-
-
Wang, R.Y.R.1
-
46
-
-
40949164745
-
Identification of the Otopetrin Domain, a conserved domain in vertebrate otopetrins and invertebrate otopetrin-like family members
-
Hughes, I. et al. Identification of the Otopetrin Domain, a conserved domain in vertebrate otopetrins and invertebrate otopetrin-like family members. BMC Evol. Biol. 8, 41 (2008).
-
(2008)
BMC Evol. Biol.
, vol.8
, pp. 41
-
-
Hughes, I.1
-
47
-
-
85050235281
-
SWISS-MODEL: homology modelling of protein structures and complexes
-
COI: 1:CAS:528:DC%2BC1MXosVyru70%3D
-
Waterhouse, A. et al. SWISS-MODEL: homology modelling of protein structures and complexes. Nucleic Acids Res. 46, W296–W303 (2018).
-
(2018)
Nucleic Acids Res.
, vol.46
, pp. W296-W303
-
-
Waterhouse, A.1
-
48
-
-
85066948192
-
-
The PyMOL Molecular Graphics System v.2.0, Schrödinger, LLC
-
The PyMOL Molecular Graphics System v.2.0, Schrödinger, LLC. (2018).
-
(2018)
-
-
-
49
-
-
4444221565
-
UCSF Chimera – a visualization system for exploratory research and analysis
-
COI: 1:CAS:528:DC%2BD2cXmvVOhsbs%3D
-
Pettersen, E. F. et al. UCSF Chimera – a visualization system for exploratory research and analysis. J. Comput. Chem. 25, 1605–1612 (2004).
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1605-1612
-
-
Pettersen, E.F.1
-
50
-
-
85039039173
-
UCSF ChimeraX: meeting modern challenges in visualization and analysis
-
COI: 1:CAS:528:DC%2BC2sXhsVertLjN
-
Goddard, T. D. et al. UCSF ChimeraX: meeting modern challenges in visualization and analysis. Protein Sci. 27, 14–25 (2018).
-
(2018)
Protein Sci.
, vol.27
, pp. 14-25
-
-
Goddard, T.D.1
-
51
-
-
84991664243
-
ConSurf 2016: an improved methodology to estimate and visualize evolutionary conservation in macromolecules
-
COI: 1:CAS:528:DC%2BC2sXhtV2itrrJ
-
Ashkenazy, H. et al. ConSurf 2016: an improved methodology to estimate and visualize evolutionary conservation in macromolecules. Nucleic Acids Res. 44, W344–W350 (2016).
-
(2016)
Nucleic Acids Res.
, vol.44
, pp. W344-W350
-
-
Ashkenazy, H.1
-
52
-
-
23144448512
-
ConSurf 2005: the projection of evolutionary conservation scores of residues on protein structures
-
COI: 1:CAS:528:DC%2BD2MXlslyrtL0%3D
-
Landau, M. et al. ConSurf 2005: the projection of evolutionary conservation scores of residues on protein structures. Nucleic Acids Res. 33, W299–W302 (2005).
-
(2005)
Nucleic Acids Res.
, vol.33
, pp. W299-W302
-
-
Landau, M.1
-
53
-
-
80054078476
-
Fast, scalable generation of high-quality protein multiple sequence alignments using Clustal Omega
-
Sievers, F. et al. Fast, scalable generation of high-quality protein multiple sequence alignments using Clustal Omega. Mol. Syst. Biol. 7, 539 (2011).
-
(2011)
Mol. Syst. Biol.
, vol.7
, pp. 539
-
-
Sievers, F.1
-
54
-
-
84904790793
-
Deciphering key features in protein structures with the new ENDscript server
-
COI: 1:CAS:528:DC%2BC2cXhtFCqs7vK
-
Robert, X. & Gouet, P. Deciphering key features in protein structures with the new ENDscript server. Nucleic Acids Res. 42, W320–W324 (2014).
-
(2014)
Nucleic Acids Res.
, vol.42
, pp. W320-W324
-
-
Robert, X.1
Gouet, P.2
-
55
-
-
84946416234
-
High performance molecular simulations through multi-level parallelism from laptops to supercomputers
-
GROMACS. High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX 1–2, 19–25 (2015).
-
(2015)
SoftwareX
, vol.1-2
, pp. 19-25
-
-
-
56
-
-
84872142909
-
Improved parameters for the martini coarse-grained protein force field
-
de Jong, D. H. et al. Improved parameters for the martini coarse-grained protein force field. J. Chem. Theory Comput. 9, 687–697 (2013).
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 687-697
-
-
de Jong, D.H.1
-
57
-
-
84936845938
-
MemProtMD: automated insertion of membrane protein structures into explicit lipid membranes
-
COI: 1:CAS:528:DC%2BC2MXhtVeiu7%2FL
-
Stansfeld, P. J. et al. MemProtMD: automated insertion of membrane protein structures into explicit lipid membranes. Structure 23, 1350–1361 (2015).
-
(2015)
Structure
, vol.23
, pp. 1350-1361
-
-
Stansfeld, P.J.1
-
58
-
-
79954524314
-
From coarse grained to atomistic: a serial multiscale approach to membrane protein simulations
-
COI: 1:CAS:528:DC%2BC3MXjt1Gjs78%3D
-
Stansfeld, P. J. & Sansom, M. S. P. From coarse grained to atomistic: a serial multiscale approach to membrane protein simulations. J. Chem. Theory Comput. 7, 1157–1166 (2011).
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 1157-1166
-
-
Stansfeld, P.J.1
Sansom, M.S.P.2
-
59
-
-
84865723813
-
Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone phi, psi and Side-Chain chi(1) and chi(2) Dihedral Angles
-
COI: 1:CAS:528:DC%2BC38XhtVKqurfP
-
Best, R. B. et al. Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone phi, psi and Side-Chain chi(1) and chi(2) Dihedral Angles. J. Chem. Theory Comput. 8, 3257–3273 (2012).
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 3257-3273
-
-
Best, R.B.1
-
60
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
COI: 1:CAS:528:DyaL3sXksF2htL4%3D
-
Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W. & Klein, M. L. Comparison of simple potential functions for simulating liquid water. J. Chem. Phys. 79, 926–935 (1983).
-
(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
-
61
-
-
0019707626
-
Polymorphic transitions in single-crystals – a new molecular-dynamics method
-
COI: 1:CAS:528:DyaL38XislSnuw%3D%3D
-
Parrinello, M. & Rahman, A. Polymorphic transitions in single-crystals – a new molecular-dynamics method. J. Appl Phys. 52, 7182–7190 (1981).
-
(1981)
J. Appl Phys.
, vol.52
, pp. 7182-7190
-
-
Parrinello, M.1
Rahman, A.2
-
63
-
-
38749123962
-
P-LINCS: a parallel linear constraint solver for molecular simulation
-
COI: 1:CAS:528:DC%2BD2sXhtlKru7zL
-
Hess, B. P-LINCS: a parallel linear constraint solver for molecular simulation. J. Chem. Theory Comput. 4, 116–122 (2008).
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 116-122
-
-
Hess, B.1
-
64
-
-
33645961739
-
A smooth particle mesh Ewald method
-
COI: 1:CAS:528:DyaK2MXptlehtrw%3D
-
Essmann, U. et al. A smooth particle mesh Ewald method. J. Chem. Phys. 103, 8577–8593 (1995).
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
-
65
-
-
0029878720
-
VMD: visual molecular dynamics
-
COI: 1:CAS:528:DyaK28Xis12nsrg%3D, 27–38
-
Humphrey, W., Dalke, A. & Schulten, K. VMD: visual molecular dynamics. J. Mol. Graph. 14, 33–38 (1996). 27–38.
-
(1996)
J. Mol. Graph.
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
66
-
-
0001268552
-
A reliable data-based bandwidth selection method for kernel density-estimation
-
Sheather, S. J. & Jones, M. C. A reliable data-based bandwidth selection method for kernel density-estimation. J. Roy. Stat. Soc. B Met. 53, 683–690 (1991).
-
(1991)
J. Roy. Stat. Soc. B Met.
, vol.53
, pp. 683-690
-
-
Sheather, S.J.1
Jones, M.C.2
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