-
1
-
-
77952315637
-
High Density Lipoprotein Structure-Function and Role in Reverse Cholesterol Transport
-
Lund-Katz, S.; Phillips, M. C. High Density Lipoprotein Structure-Function and Role in Reverse Cholesterol Transport Subcell. Biochem. 2010, 51, 183-227
-
(2010)
Subcell. Biochem.
, vol.51
, pp. 183-227
-
-
Lund-Katz, S.1
Phillips, M.C.2
-
2
-
-
36349011270
-
High-Density Lipoprotein Metabolism: Potential Therapeutic Targets
-
Davidson, M. H.; Toth, P. P. High-Density Lipoprotein Metabolism: Potential Therapeutic Targets Am. J. Cardiol. 2007, 100, 32N-40N
-
(2007)
Am. J. Cardiol.
, vol.100
, pp. 32N-40N
-
-
Davidson, M.H.1
Toth, P.P.2
-
3
-
-
0019826687
-
Characterization of Human High-Density Lipoproteins by Gradient Gel Electrophoresis
-
Blanche, P. J.; Gong, E. L.; Forte, T. M.; Nichols, A. V. Characterization of Human High-Density Lipoproteins By Gradient Gel Electrophoresis Biochim. Biophys. Acta 1981, 665, 408-419
-
(1981)
Biochim. Biophys. Acta
, vol.665
, pp. 408-419
-
-
Blanche, P.J.1
Gong, E.L.2
Forte, T.M.3
Nichols, A.V.4
-
4
-
-
79953800922
-
Apolipoprotein A-I Structural Organization in High-Density Lipoproteins Isolated from Human Plasma
-
Huang, R.; Silva, R. A.; Jerome, W. G.; Kontush, A.; Chapman, M. J.; Curtiss, L. K.; Hodges, T. J.; Davidson, W. S. Apolipoprotein A-I Structural Organization in High-Density Lipoproteins Isolated From Human Plasma Nat. Struct. Mol. Biol. 2011, 18, 416-422
-
(2011)
Nat. Struct. Mol. Biol.
, vol.18
, pp. 416-422
-
-
Huang, R.1
Silva, R.A.2
Jerome, W.G.3
Kontush, A.4
Chapman, M.J.5
Curtiss, L.K.6
Hodges, T.J.7
Davidson, W.S.8
-
5
-
-
0030059894
-
Oxidation of High Density Lipoproteins: Characterization and Effects on Cholesterol Efflux from J774 Macrophages
-
Rifici, V. A.; Khachadurian, A. K. Oxidation of High Density Lipoproteins: Characterization and Effects on Cholesterol Efflux From J774 Macrophages Biochim. Biophys. Acta 1996, 1299, 87-94
-
(1996)
Biochim. Biophys. Acta
, vol.1299
, pp. 87-94
-
-
Rifici, V.A.1
Khachadurian, A.K.2
-
6
-
-
0026493679
-
High Density Lipoprotein is the Major Carrier of Lipid Hydroperoxides in Human Blood Plasma from Fasting Donors
-
Bowry, V. W.; Stanley, K. K.; Stocker, R. High Density Lipoprotein Is the Major Carrier of Lipid Hydroperoxides in Human Blood Plasma From Fasting Donors Proc. Natl. Acad. Sci. U.S.A. 1992, 89, 10316-10320
-
(1992)
Proc. Natl. Acad. Sci. U.S.A.
, vol.89
, pp. 10316-10320
-
-
Bowry, V.W.1
Stanley, K.K.2
Stocker, R.3
-
7
-
-
0032513141
-
Oxidation of High Density Lipoproteins
-
Garner, B.; Witting, P. K.; Waldeck, A. R.; Christison, J. K.; Raftery, M.; Stocker, R. Oxidation of High Density Lipoproteins J. Biol. Chem. 1998, 273, 6080-6087
-
(1998)
J. Biol. Chem.
, vol.273
, pp. 6080-6087
-
-
Garner, B.1
Witting, P.K.2
Waldeck, A.R.3
Christison, J.K.4
Raftery, M.5
Stocker, R.6
-
8
-
-
77954142169
-
Equivalent Lipid Oxidation Profiles in Advanced Atherosclerotic Lesions of Carotid Endarterectomy Plaques Obtained from Symptomatic Type 2 Diabetic and Nondiabetic Subjects
-
Kathir, K.; Dennis, J. M.; Croft, K. D.; Mori, T. A.; Lau, A. K.; Adams, M. R.; Stocker, R. Equivalent Lipid Oxidation Profiles in Advanced Atherosclerotic Lesions of Carotid Endarterectomy Plaques Obtained from Symptomatic Type 2 Diabetic and Nondiabetic Subjects Free Radical Biol. Med. 2010, 49, 481-486
-
(2010)
Free Radical Biol. Med.
, vol.49
, pp. 481-486
-
-
Kathir, K.1
Dennis, J.M.2
Croft, K.D.3
Mori, T.A.4
Lau, A.K.5
Adams, M.R.6
Stocker, R.7
-
10
-
-
84863985396
-
Protein Modification by Aldehydophospholipids and Its Functional Consequences
-
Stemmer, U.; Hermetter, A. Protein Modification by Aldehydophospholipids and Its Functional Consequences Biochim. Biophys. Acta 2012, 1818, 2436-2445
-
(2012)
Biochim. Biophys. Acta
, vol.1818
, pp. 2436-2445
-
-
Stemmer, U.1
Hermetter, A.2
-
11
-
-
0342316532
-
Oxysterols: Modulators of Cholesterol Metabolism and Other Processes
-
Schroepfer, G. J. J. Oxysterols: Modulators of Cholesterol Metabolism and Other Processes Physiol. Rev. 2000, 80, 361-554
-
(2000)
Physiol. Rev.
, vol.80
, pp. 361-554
-
-
Schroepfer, G.J.J.1
-
12
-
-
80055052806
-
Advanced Glycation in Macrophages Induces Intracellular Accumulation of 7-ketocholesterol and Total Sterols by Decreasing the Expression of ABCA-1 and ABCG-1
-
Iborra, R. T.; Machado-Lima, A.; Castilho, G.; Nunes, V. S.; Abdalla, D. S.; Nakandakare, E. R.; Passarelli, M. Advanced Glycation in Macrophages Induces Intracellular Accumulation of 7-ketocholesterol and Total Sterols by Decreasing the Expression of ABCA-1 and ABCG-1 Lipids Health Dis. 2011, 10, 172
-
(2011)
Lipids Health Dis.
, vol.10
, pp. 172
-
-
Iborra, R.T.1
Machado-Lima, A.2
Castilho, G.3
Nunes, V.S.4
Abdalla, D.S.5
Nakandakare, E.R.6
Passarelli, M.7
-
13
-
-
78349243645
-
Role of Lipids in Spheroidal High Density Lipoproteins
-
Vuorela, T.; Catte, A.; Niemelä, P. S.; Hall, A.; Hyvönen, M. T.; Marrink, S.-J.; Karttunen, M.; Vattulainen, I. Role of Lipids in Spheroidal High Density Lipoproteins PLoS Comput. Biol. 2010, 6, e1000964
-
(2010)
PLoS Comput. Biol.
, vol.6
, pp. 1000964
-
-
Vuorela, T.1
Catte, A.2
Niemelä, P.S.3
Hall, A.4
Hyvönen, M.T.5
Marrink, S.-J.6
Karttunen, M.7
Vattulainen, I.8
-
14
-
-
84857482067
-
Lipid Exchange Mechanism of the Cholesteryl Ester Transfer Protein Clarified by Atomistic and Coarse-grained Simulations
-
Koivuniemi, A.; Vuorela, T.; Kovanen, P. T.; Vattulainen, I.; Hyvönen, M. T. Lipid Exchange Mechanism of the Cholesteryl Ester Transfer Protein Clarified by Atomistic and Coarse-grained Simulations PLoS Comput. Biol. 2012, 8, e1002299
-
(2012)
PLoS Comput. Biol.
, vol.8
, pp. 1002299
-
-
Koivuniemi, A.1
Vuorela, T.2
Kovanen, P.T.3
Vattulainen, I.4
Hyvönen, M.T.5
-
15
-
-
84855668100
-
Revealing Structural and Dynamical Properties of High Density Lipoproteins through Molecular Simulations
-
Koivuniemi, A.; Vattulainen, I. Revealing Structural and Dynamical Properties of High Density Lipoproteins through Molecular Simulations Soft Matter 2012, 8, 1262-1267
-
(2012)
Soft Matter
, vol.8
, pp. 1262-1267
-
-
Koivuniemi, A.1
Vattulainen, I.2
-
16
-
-
80051969523
-
High Density Lipoprotein Structural Changes and Drug Response in Lipidomic Profiles following the Long-Term Fenofibrate Therapy in the FIELD Substudy
-
Yetukuri, L.; Huopaniemi, I.; Koivuniemi, A.; Maranghi, M.; Hiukka, A.; Nygren, H.; Kaski, S.; Taskinen, M.-R.; Vattulainen, I.; Jauhiainen, M.; Oresic, M. High Density Lipoprotein Structural Changes and Drug Response in Lipidomic Profiles following the Long-Term Fenofibrate Therapy in the FIELD Substudy PLoS One 2011, 6, e23589
-
(2011)
PLoS One
, vol.6
, pp. 23589
-
-
Yetukuri, L.1
Huopaniemi, I.2
Koivuniemi, A.3
Maranghi, M.4
Hiukka, A.5
Nygren, H.6
Kaski, S.7
Taskinen, M.-R.8
Vattulainen, I.9
Jauhiainen, M.10
Oresic, M.11
-
17
-
-
80052539628
-
Low Density Lipoprotein: Structure Dynamics and Interactions of apoB-100 with Lipids
-
Murtola, T.; Vuorela, T. A.; Hyvonen, M. T.; Marrink, S.-J.; Karttunen, M.; Vattulainen, I. Low Density Lipoprotein: Structure Dynamics and Interactions of apoB-100 with Lipids Soft Matter 2011, 7, 8135-8141
-
(2011)
Soft Matter
, vol.7
, pp. 8135-8141
-
-
Murtola, T.1
Vuorela, T.A.2
Hyvonen, M.T.3
Marrink, S.-J.4
Karttunen, M.5
Vattulainen, I.6
-
18
-
-
84912076937
-
How Anacetrapib Inhibits the Activity of the Cholesteryl Ester Transfer Protein? Perspective through Atomistic Simulations
-
Äijänen, T.; Koivuniemi, A.; Javanainen, M.; Rissanen, S.; Rog, T.; Vattulainen, I. How Anacetrapib Inhibits the Activity of the Cholesteryl Ester Transfer Protein? Perspective through Atomistic Simulations PLoS Comput. Biol. 2014, 10, e1003987
-
(2014)
PLoS Comput. Biol.
, vol.10
, pp. 1003987
-
-
Avijänen, T.1
Koivuniemi, A.2
Javanainen, M.3
Rissanen, S.4
Rog, T.5
Vattulainen, I.6
-
19
-
-
0034294024
-
Multidimensional Replica-Exchange Method for Free-Energy Calculations
-
Sugita, Y.; Kitao, A.; Okamoto, Y. Multidimensional Replica-Exchange Method for Free-Energy Calculations J. Chem. Phys. 2000, 113, 6042-6051
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 6042-6051
-
-
Sugita, Y.1
Kitao, A.2
Okamoto, Y.3
-
20
-
-
0029912748
-
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
-
Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids J. Am. Chem. Soc. 1996, 118, 11225-11236
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
21
-
-
0004016501
-
Comparison of Simple Potential Functions for Simulating Liquid Water
-
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. 1983, 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
-
22
-
-
34547809547
-
A Unified Formulation of the Constant Temperature Molecular Dynamics Methods
-
Nosé, S. A Unified Formulation of the Constant Temperature Molecular Dynamics Methods J. Chem. Phys. 1984, 81, 511-519
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 511-519
-
-
Nosé, S.1
-
23
-
-
0001538909
-
Canonical Dynamics: Equilibrium Phase-Space Distributions
-
Hoover, W. G. Canonical Dynamics: Equilibrium Phase-Space Distributions Phys. Rev. A 1985, 31, 1695-1697
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695-1697
-
-
Hoover, W.G.1
-
24
-
-
0019707626
-
Polymorphic Transitions in Single Crystals: A New Molecular Dynamics Method
-
Parrinello, M.; Rahman, A. Polymorphic Transitions in Single Crystals: a New Molecular Dynamics Method J. Appl. Phys. 1981, 52, 7182-7190
-
(1981)
J. Appl. Phys.
, vol.52
, pp. 7182-7190
-
-
Parrinello, M.1
Rahman, A.2
-
25
-
-
0000388705
-
LINCS: A Linear Constraint Solver for Molecular Simulations
-
Hess, B.; Bekker, H.; Berendsen, H. J. C.; Fraaije, J. G. E. M. LINCS: a Linear Constraint Solver for Molecular Simulations J. Comput. Chem. 1997, 18, 1463-1472
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
26
-
-
33645961739
-
A Smooth Particle Mesh Ewald Method
-
Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. A Smooth Particle Mesh Ewald Method J. Chem. Phys. 1995, 103, 8577-8592
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577-8592
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
27
-
-
0029633155
-
The Calculation of the Potential of Mean Force Using Computer Simulations
-
Roux, B. The Calculation of the Potential of Mean Force Using Computer Simulations Comput. Phys. Commun. 1995, 91, 275-282
-
(1995)
Comput. Phys. Commun.
, vol.91
, pp. 275-282
-
-
Roux, B.1
-
28
-
-
0342929614
-
Nonphysical Sampling Distributions in Monte Carlo Free-Energy Estimation: Umbrella Sampling
-
Torrie, G.; Valleau, J. Nonphysical Sampling Distributions in Monte Carlo Free-Energy Estimation: Umbrella Sampling J. Comput. Phys. 1977, 23, 187-199
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 187-199
-
-
Torrie, G.1
Valleau, J.2
-
29
-
-
84986519238
-
The Weighted Histogram Analysis Method for Free-Energy Calculations on Biomolecules. I. The Method
-
Kumar, S.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A.; Rosenberg, J. M. The Weighted Histogram Analysis Method for Free-Energy Calculations on Biomolecules. I. The Method J. Comput. Chem. 1992, 13, 1011-1021
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 1011-1021
-
-
Kumar, S.1
Bouzida, D.2
Swendsen, R.H.3
Kollman, P.A.4
Rosenberg, J.M.5
-
30
-
-
83455177932
-
Statistical Convergence of Equilibrium Properties in Simulations of Molecular Solutes Embedded in Lipid Bilayers
-
Neale, C.; Bennett, W. F. D.; Tieleman, D. P.; Pomes, R. Statistical Convergence of Equilibrium Properties in Simulations of Molecular Solutes Embedded in Lipid Bilayers J. Chem. Theory Comput. 2011, 7, 4175-4188
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 4175-4188
-
-
Neale, C.1
Bennett, W.F.D.2
Tieleman, D.P.3
Pomes, R.4
-
31
-
-
84898894985
-
Indolicidin Binding Induces Thinning of a Lipid Bilayer
-
Neale, C.; Hsu, J. C. Y.; Yip, C. M.; Pomes, R. Indolicidin Binding Induces Thinning of a Lipid Bilayer Biophys. J. 2014, 106, L29-L31
-
(2014)
Biophys. J.
, vol.106
, pp. 29-L31
-
-
Neale, C.1
Hsu, J.C.Y.2
Yip, C.M.3
Pomes, R.4
-
32
-
-
84863272836
-
Transmembrane Helix Assembly by Window Exchange Umbrella Sampling
-
Park, S.; Kim, T.; Im, W. Transmembrane Helix Assembly by Window Exchange Umbrella Sampling Phys. Rev. Lett. 2012, 108, 108102
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 108102
-
-
Park, S.1
Kim, T.2
Im, W.3
-
33
-
-
84888089116
-
Mechanistic Picture for Conformational Transition of a Membrane Transporter at Atomic Resolution
-
Moradi, M.; Tajkhorshid, E. Mechanistic Picture for Conformational Transition of a Membrane Transporter at Atomic Resolution Proc. Natl. Acad. Sci. U.S.A. 2013, 110, 18916-18921
-
(2013)
Proc. Natl. Acad. Sci. U.S.A.
, vol.110
, pp. 18916-18921
-
-
Moradi, M.1
Tajkhorshid, E.2
-
34
-
-
33846050049
-
Molecular Dynamics of Apo-Adenylate Kinase: A Distance Replica Exchange Method for the Free Energy of Conformational Fluctuations
-
Lou, H.; Cukier, R. I. Molecular Dynamics of Apo-Adenylate Kinase: A Distance Replica Exchange Method for the Free Energy of Conformational Fluctuations J. Phys. Chem. B 2006, 110, 24121-24137
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 24121-24137
-
-
Lou, H.1
Cukier, R.I.2
-
35
-
-
55949089646
-
Rapid Free Energy Calculation of Peptide Self-Assembly by REMD Umbrella Sampling
-
Wolf, M. G.; Jongejan, J. A.; Laman, J. D.; de Leeuw, S. W. Rapid Free Energy Calculation of Peptide Self-Assembly by REMD Umbrella Sampling J. Phys. Chem. B 2008, 112, 13493-13498
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 13493-13498
-
-
Wolf, M.G.1
Jongejan, J.A.2
Laman, J.D.3
De Leeuw, S.W.4
-
36
-
-
1642513581
-
Free Energy Calculations for DNA Base Stacking by Replica-Exchange Umbrella Sampling
-
Murata, K.; Sugita, Y.; Okamoto, Y. Free Energy Calculations for DNA Base Stacking by Replica-Exchange Umbrella Sampling Chem. Phys. Lett. 2004, 385, 1-7
-
(2004)
Chem. Phys. Lett.
, vol.385
, pp. 1-7
-
-
Murata, K.1
Sugita, Y.2
Okamoto, Y.3
-
37
-
-
70350003679
-
Elbow Flexibility of the kt38 RNA Kink-Turn Motif Investigated by Free-Energy Molecular Dynamics Simulations
-
Curuksu, J.; Sponer, J.; Zacharias, M. Elbow Flexibility of the kt38 RNA Kink-Turn Motif Investigated by Free-Energy Molecular Dynamics Simulations Biophys. J. 2009, 97, 2004-2013
-
(2009)
Biophys. J.
, vol.97
, pp. 2004-2013
-
-
Curuksu, J.1
Sponer, J.2
Zacharias, M.3
-
38
-
-
84906217177
-
Prediction of Protein-Ligand Binding Structures by Replica-Exchange Umbrella Sampling Simulations: Application to Kinase Systems
-
Kokubo, H.; Tanaka, T.; Okamoto, Y. Prediction of Protein-Ligand Binding Structures by Replica-Exchange Umbrella Sampling Simulations: Application to Kinase Systems J. Chem. Theory Comput. 2013, 9, 4660-4671
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 4660-4671
-
-
Kokubo, H.1
Tanaka, T.2
Okamoto, Y.3
-
39
-
-
84885596799
-
Two-Dimensional Replica-Exchange Method for Predicting Protein-Ligand Binding Structures
-
Kokubo, H.; Tanaka, T.; Okamoto, Y. Two-Dimensional Replica-Exchange Method for Predicting Protein-Ligand Binding Structures J. Comput. Chem. 2013, 34, 2601-2614
-
(2013)
J. Comput. Chem.
, vol.34
, pp. 2601-2614
-
-
Kokubo, H.1
Tanaka, T.2
Okamoto, Y.3
-
40
-
-
84869022832
-
Calculation of Free Energy Landscape in Multi-Dimensions with Hamiltonian-Exchange Umbrella Sampling on Petascale Supercomputer
-
Jiang, W.; Luo, Y.; Maragliano, L.; Roux, B. Calculation of Free Energy Landscape in Multi-Dimensions with Hamiltonian-Exchange Umbrella Sampling on Petascale Supercomputer J. Chem. Theory Comput. 2012, 8, 4672-4680
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 4672-4680
-
-
Jiang, W.1
Luo, Y.2
Maragliano, L.3
Roux, B.4
-
41
-
-
84897469604
-
Structural and Computational Studies of the Staphylococcus aureus Sortase B-Substrate Complex Reveal a Substrate-stabilized Oxyanion Hole
-
Jacobitz, A. W.; Wereszczynski, J.; Yi, S. W.; Amer, B. R.; Huang, G. L.; Nguyen, A. V.; Sawaya, M. R.; Jung, M. E.; McCammon, J. A.; Clubb, R. T. Structural and Computational Studies of the Staphylococcus aureus Sortase B-Substrate Complex Reveal a Substrate-stabilized Oxyanion Hole J. Biol. Chem. 2014, 289, 8891-8902
-
(2014)
J. Biol. Chem.
, vol.289
, pp. 8891-8902
-
-
Jacobitz, A.W.1
Wereszczynski, J.2
Yi, S.W.3
Amer, B.R.4
Huang, G.L.5
Nguyen, A.V.6
Sawaya, M.R.7
Jung, M.E.8
McCammon, J.A.9
Clubb, R.T.10
-
42
-
-
84883744307
-
Recovery from Slow Inactivation in K+ Channels is Controlled by Water Molecules
-
Ostmeyer, J.; Chakrapani, S.; Pan, A. C.; Perozo, E.; Roux, B. Recovery from Slow Inactivation in K+ Channels Is Controlled by Water Molecules Nature 2013, 501, 121-124
-
(2013)
Nature
, vol.501
, pp. 121-124
-
-
Ostmeyer, J.1
Chakrapani, S.2
Pan, A.C.3
Perozo, E.4
Roux, B.5
-
43
-
-
84872147531
-
Two Dimensional Window Exchange Umbrella Sampling for Transmembrane Helix Assembly
-
Park, S.; Im, W. Two Dimensional Window Exchange Umbrella Sampling for Transmembrane Helix Assembly J. Chem. Theory Comput. 2013, 9, 13-17
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 13-17
-
-
Park, S.1
Im, W.2
-
44
-
-
84882300844
-
Accelerating Convergence in Molecular Dynamics Simulations of Solutes in Lipid Membranes by Conducting a Random Walk along the Bilayer Normal
-
Neale, C.; Madill, C.; Rauscher, S.; Pomes, R. Accelerating Convergence in Molecular Dynamics Simulations of Solutes in Lipid Membranes by Conducting a Random Walk along the Bilayer Normal J. Chem. Theory Comput. 2013, 9, 3686-3703
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 3686-3703
-
-
Neale, C.1
Madill, C.2
Rauscher, S.3
Pomes, R.4
-
45
-
-
46249092554
-
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
-
Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation J. Chem. Theory Comput. 2008, 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
-
46
-
-
78651282170
-
G-wham-A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates
-
Hub, J. S.; de Groot, B. L.; van der Spoel, D. g-wham-A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates J. Chem. Theory Comput. 2010, 6, 3713-3720
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 3713-3720
-
-
Hub, J.S.1
De Groot, B.L.2
Van Der Spoel, D.3
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