-
1
-
-
33745460260
-
Current status of polymeric gene delivery systems
-
DOI 10.1016/j.addr.2006.03.007, PII S0169409X06000500
-
T.G. Park, J.H. Jeong, and S.W. Kim Current status of polymeric gene delivery systems Adv. Drug Deliv. Rev. 58 4 2006 467 486 (Pubitemid 43949425)
-
(2006)
Advanced Drug Delivery Reviews
, vol.58
, Issue.4
, pp. 467-486
-
-
Park, T.G.1
Jeong, J.H.2
Kim, S.W.3
-
2
-
-
27244457081
-
Barriers to gene delivery using synthetic vectors
-
DOI 10.1016/S0065-2660(05)53002-5, PII S0065266005530025, Non-Viral Vectors for Gene Therapy, Second Edition: Part 1
-
M.L. Read, A. Logan, and L.W. Seymour Barriers to gene delivery using synthetic vectors Adv. Genet. 53 2005 19 46 (Pubitemid 43580681)
-
(2005)
Advances in Genetics
, vol.53
, pp. 19-46
-
-
Read, M.L.1
Logan, A.2
Seymour, L.W.3
-
3
-
-
0038205763
-
Polycation gene delivery systems: Escape from endosomes to cytosol
-
DOI 10.1211/002235703765951311
-
Y.W. Cho, J.D. Kim, and K. Park Polycation gene delivery systems: escape from endosomes to cytosol J. Pharm. Pharmacol. 55 6 2003 721 734 (Pubitemid 36752715)
-
(2003)
Journal of Pharmacy and Pharmacology
, vol.55
, Issue.6
, pp. 721-734
-
-
Cho, Y.W.1
Kim, J.-D.2
Park, K.3
-
4
-
-
78650476432
-
The proton sponge: A trick to enter cells the viruses did not exploit
-
J.P. Behr The proton sponge: a trick to enter cells the viruses did not exploit Chimia 51 1-2 1997 34 36
-
(1997)
Chimia
, vol.51
, Issue.12
, pp. 34-36
-
-
Behr, J.P.1
-
5
-
-
0242414440
-
Chloride accumulation and swelling in endosomes enhances DNA transfer by polyamine-DNA polyplexes
-
DOI 10.1074/jbc.M308643200
-
N.D. Sonawane, F.C. Szoka, and A.S. Verkman Chloride accumulation and swelling in endosomes enhances DNA transfer by polyamine-DNA polyplexes J. Biol. Chem. 278 45 2003 44826 44831 (Pubitemid 37377241)
-
(2003)
Journal of Biological Chemistry
, vol.278
, Issue.45
, pp. 44826-44831
-
-
Sonawane, N.D.1
Szoka Jr., F.C.2
Verkman, A.S.3
-
6
-
-
78651363162
-
Coarse-grained molecular simulation of interacting dendrimers
-
W.D. Tian, and Y.Q. Ma Coarse-grained molecular simulation of interacting dendrimers Soft Matter 7 2 2011 500 505
-
(2011)
Soft Matter
, vol.7
, Issue.2
, pp. 500-505
-
-
Tian, W.D.1
Ma, Y.Q.2
-
7
-
-
13444266498
-
Effect of solvent and pH on the structure of PAMAM dendrimers
-
DOI 10.1021/ma049168l
-
P.K. Maiti, T. Cagin, S.T. Lin, and W.A. Goddard Effect of solvent and pH on the structure of PAMAM dendrimers Macromolecules 38 3 2005 979 991 (Pubitemid 40213137)
-
(2005)
Macromolecules
, vol.38
, Issue.3
, pp. 979-991
-
-
Maiti, P.K.1
Cagin, T.2
Lin, S.-T.3
Goddard III, W.A.4
-
8
-
-
56349113905
-
Release of cationic polymer-DNA complexes from the endosome: A theoretical investigation of the proton sponge hypothesis
-
S. Yang, and S. May Release of cationic polymer-DNA complexes from the endosome: a theoretical investigation of the proton sponge hypothesis J. Chem. Phys. 129 18 2008
-
(2008)
J. Chem. Phys.
, vol.129
, Issue.18
-
-
Yang, S.1
May, S.2
-
9
-
-
69949157316
-
Missing pieces in understanding the intracellular trafficking of polycation/DNA complexes
-
Y.Y. Won, R. Sharma, and S.F. Konieczny Missing pieces in understanding the intracellular trafficking of polycation/DNA complexes J. Control. Release 139 2 2009 88 93
-
(2009)
J. Control. Release
, vol.139
, Issue.2
, pp. 88-93
-
-
Won, Y.Y.1
Sharma, R.2
Konieczny, S.F.3
-
10
-
-
64149113037
-
Internally cationic polyamidoamine PAMAM-OH dendrimers for siRNA delivery: Effect of the degree of quaternization and cancer targeting
-
M.L. Patil, M. Zhang, O. Taratula, O.B. Garbuzenko, H.X. He, and T. Minko Internally cationic polyamidoamine PAMAM-OH dendrimers for siRNA delivery: effect of the degree of quaternization and cancer targeting Biomacromolecules 10 2 2009 258 266
-
(2009)
Biomacromolecules
, vol.10
, Issue.2
, pp. 258-266
-
-
Patil, M.L.1
Zhang, M.2
Taratula, O.3
Garbuzenko, O.B.4
He, H.X.5
Minko, T.6
-
11
-
-
35748935107
-
The advance of dendrimers - A versatile targeting-platform for gene/drug delivery
-
DOI 10.2174/138161207781757024
-
H.S. Parekh The advance of dendrimers-a versatile targeting platform for gene/drug delivery Curr. Pharm. Des. 13 27 2007 2837 2850 (Pubitemid 350138967)
-
(2007)
Current Pharmaceutical Design
, vol.13
, Issue.27
, pp. 2837-2850
-
-
Parekh, H.S.1
-
12
-
-
0032032440
-
Membrane permeabilization and efficient gene transfer by a peptide containing several histidines
-
DOI 10.1021/bc9701611
-
P. Midoux, A. Kichler, V. Boutin, J.C. Maurizot, and M. Monsigny Membrane permeabilization and efficient gene transfer by a peptide containing several histidines Bioconjug. Chem. 9 2 1998 260 267 (Pubitemid 28147145)
-
(1998)
Bioconjugate Chemistry
, vol.9
, Issue.2
, pp. 260-267
-
-
Midoux, P.1
Kichler, A.2
Boutin, V.3
Maurizot, J.-C.4
Monsigny, M.5
-
13
-
-
0033137012
-
Efficient gene transfer by histidylated polylysine/pDNA complexes
-
DOI 10.1021/bc9801070
-
P. Midoux, and M. Monsigny Efficient gene transfer by histidylated polylysine/pDNA complexes Bioconjug. Chem. 10 3 1999 406 411 (Pubitemid 29243322)
-
(1999)
Bioconjugate Chemistry
, vol.10
, Issue.3
, pp. 406-411
-
-
Midoux, P.1
Monsigny, M.2
-
14
-
-
34250346160
-
Histidine-lysine peptides as carriers of nucleic acids
-
DOI 10.1358/dnp.2007.20.2.1083026
-
Q.X. Leng, L. Goldgeier, J.S. Zhu, P. Cambell, N. Ambulos, and A.J. Mixson Histidine-lysine peptides as carriers of nucleic acids Drug News Perspect. 20 2 2007 77 86 (Pubitemid 46917230)
-
(2007)
Drug News and Perspectives
, vol.20
, Issue.2
, pp. 77-86
-
-
Leng, Q.1
Goldgeier, L.2
Zhu, J.3
Cambell, P.4
Ambulos, N.5
Mixson, A.J.6
-
15
-
-
33847112468
-
Optimising histidine rich peptides for efficient DNA delivery in the presence of serum
-
DOI 10.1016/j.jconrel.2006.12.004, PII S0168365906007012
-
A.J. Mason, C. Leborgne, G. Moulay, A. Martinez, O. Danos, B. Bechinger, and A. Kichler Optimising histidine rich peptides for efficient DNA delivery in the presence of serum J. Control. Release 118 1 2007 95 104 (Pubitemid 46283102)
-
(2007)
Journal of Controlled Release
, vol.118
, Issue.1
, pp. 95-104
-
-
Mason, A.J.1
Leborgne, C.2
Moulay, G.3
Martinez, A.4
Danos, O.5
Bechinger, B.6
Kichler, A.7
-
16
-
-
34247577622
-
Carboxymethyl poly(L-histidine) as a new pH-sensitive polypeptide at endosomal/lysosomal pH
-
DOI 10.1002/pat.890
-
S. Asayama, H. Kato, H. Kawakami, and S. Nagaoka Carboxymethyl poly(L-histidine) as a new pH-sensitive polypeptide at endosomal/lysosomal pH Polym. Adv. Technol. 18 4 2007 329 333 (Pubitemid 46672034)
-
(2007)
Polymers for Advanced Technologies
, vol.18
, Issue.4
, pp. 329-333
-
-
Asayama, S.1
Kato, H.2
Kawakami, H.3
Nagaoka, S.4
-
17
-
-
33846810138
-
Comparison of the endocytic properties of linear and branched PEIs, and cationic PAMAM dendrimers in B16f10 melanoma cells
-
DOI 10.1016/j.jconrel.2006.10.020, PII S0168365906005761
-
F.P. Seib, A.T. Jones, and R. Duncan Comparison of the endocytic properties of linear and branched PEIs, and cationic PAMAM dendrimers in B16f10 melanoma cells J. Control. Release 117 3 2007 291 300 (Pubitemid 46216575)
-
(2007)
Journal of Controlled Release
, vol.117
, Issue.3
, pp. 291-300
-
-
Seib, F.P.1
Jones, A.T.2
Duncan, R.3
-
18
-
-
77950358992
-
Investigation of DNA spectral conformational changes and polymer buffering capacity in relation to transfection efficiency of DNA/polymer complexes
-
J.Y. Cherng Investigation of DNA spectral conformational changes and polymer buffering capacity in relation to transfection efficiency of DNA/polymer complexes J. Pharm. Pharm. Sci. 12 3 2009 346 356
-
(2009)
J. Pharm. Pharm. Sci.
, vol.12
, Issue.3
, pp. 346-356
-
-
Cherng, J.Y.1
-
19
-
-
19744372388
-
Exploring polyethylenimine-mediated DNA transfection and the proton sponge hypothesis
-
DOI 10.1002/jgm.696
-
A. Akinc, M. Thomas, A.M. Klibanov, and R. Langer Exploring polyethylenimine-mediated DNA transfection and the proton sponge hypothesis J. Gene Med. 7 5 2005 657 663 (Pubitemid 40744532)
-
(2005)
Journal of Gene Medicine
, vol.7
, Issue.5
, pp. 657-663
-
-
Akinc, A.1
Thomas, M.2
Klibanov, A.M.3
Langer, R.4
-
20
-
-
0034688198
-
Design of imidazole-containing endosomolytic biopolymers for gene delivery
-
DOI 10.1002/(SICI)1097-0290(20000120)67:2<217::AID-BIT11>3.0.CO;2-Q
-
D.W. Pack, D. Putnam, and R. Langer Design of imidazole-containing endosomolytic biopolymers for gene delivery Biotechnol. Bioeng. 67 2 2000 217 223 (Pubitemid 30029783)
-
(2000)
Biotechnology and Bioengineering
, vol.67
, Issue.2
, pp. 217-223
-
-
Pack, D.W.1
Putnam, D.2
Langer, R.3
-
21
-
-
0037778991
-
High transfection efficiency of poly(4-vinylimidazole) as a new gene carrier
-
J.E. Ihm, K.O. Han, I.K. Han, K.D. Ahn, D.K. Han, and C.S. Cho High transfection efficiency of poly(4-vinylimidazole) as a new gene carrier Bioconjug. Chem. 14 4 2003 707 708
-
(2003)
Bioconjug. Chem.
, vol.14
, Issue.4
, pp. 707-708
-
-
Ihm, J.E.1
Han, K.O.2
Han, I.K.3
Ahn, K.D.4
Han, D.K.5
Cho, C.S.6
-
22
-
-
68549130637
-
Chemical vectors for gene delivery: A current review on polymers, peptides and lipids containing histidine or imidazole as nucleic acids carriers
-
P. Midoux, C. Pichon, J.J. Yaouanc, and P.A. Jaffres Chemical vectors for gene delivery: a current review on polymers, peptides and lipids containing histidine or imidazole as nucleic acids carriers Brit. J. Pharmacol. 157 2 2009 166 178
-
(2009)
Brit. J. Pharmacol.
, vol.157
, Issue.2
, pp. 166-178
-
-
Midoux, P.1
Pichon, C.2
Yaouanc, J.J.3
Jaffres, P.A.4
-
23
-
-
33846164122
-
Structure and dynamics of DNA-dendrimer complexation: Role of counterions, water, and base pair sequence
-
DOI 10.1021/nl061609m
-
P.K. Maiti, and B. Bagchi Structure and dynamics of DNA-dendrimer complexation: role of counterions, water, and base pair sequence Nano Lett. 6 11 2006 2478 2485 (Pubitemid 46076936)
-
(2006)
Nano Letters
, vol.6
, Issue.11
, pp. 2478-2485
-
-
Maiti, P.K.1
Bagchi, B.2
-
24
-
-
0037104623
-
Single-stranded DNA condensed with poly-L-lysine results in nanometric particles that are significantly smaller, more stable in physiological ionic strength fluids and afford higher efficiency of gene delivery than their double-stranded counterparts
-
DOI 10.1016/S0304-4165(02)00276-3, PII S0304416502002763
-
M. Molas, R. Bartrons, and J.C. Perales Single-stranded DNA condensed with poly-L-lysine results in nanometric particles that are significantly smaller, more stable in physiological ionic strength fluids and afford higher efficiency of gene delivery than their double-stranded counterparts Biochim. Biophys. Acta-Gen. Subj. 1572 1 2002 37 44 (Pubitemid 35223054)
-
(2002)
Biochimica et Biophysica Acta - General Subjects
, vol.1572
, Issue.1
, pp. 37-44
-
-
Molas, M.1
Bartrons, R.2
Perales, J.C.3
-
25
-
-
0027655718
-
Polyamidoamine cascade polymers mediate efficient transfection of cells in culture
-
J. Haensler, and F.C. Szoka Polyamidoamine cascade polymers mediate efficient transfection of cells in culture Bioconjug. Chem. 4 5 1993 372 379
-
(1993)
Bioconjug. Chem.
, vol.4
, Issue.5
, pp. 372-379
-
-
Haensler, J.1
Szoka, F.C.2
-
26
-
-
79955919831
-
Low-generation asymmetric dendrimers exhibit minimal toxicity and effectively complex DNA
-
10.1002/psc.1347
-
N.S.R.J. Shah, and H.S. Parekh Low-generation asymmetric dendrimers exhibit minimal toxicity and effectively complex DNA J. Pept. Sci. 2011 10.1002/psc.1347
-
(2011)
J. Pept. Sci.
-
-
Shah, N.S.R.J.1
Parekh, H.S.2
-
27
-
-
0032560959
-
Continuum solvent studies of the stability of DNA, RNA, and phosphoramidate-DNA helices
-
DOI 10.1021/ja981844+
-
J. Srinivasan, T.E. Cheatham, P. Cieplak, P.A. Kollman, and D.A. Case Continuum solvent studies of the stability of DNA, RNA, and phosphoramidate-DNA helices J. Am. Chem. Soc. 120 37 1998 9401 9409 (Pubitemid 28452628)
-
(1998)
Journal of the American Chemical Society
, vol.120
, Issue.37
, pp. 9401-9409
-
-
Srinivasan, J.1
Cheatham III, T.E.2
Cieplak, P.3
Kollman, P.A.4
Case, D.A.5
-
28
-
-
0034521981
-
Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models
-
DOI 10.1021/ar000033j
-
P.A. Kollman, I. Massova, C. Reyes, B. Kuhn, S.H. Huo, L. Chong, M. Lee, T. Lee, Y. Duan, W. Wang, O. Donini, P. Cieplak, J. Srinivasan, D.A. Case, and T.E. Cheatham Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models Acc. Chem. Res. 33 12 2000 889 897 (Pubitemid 32056774)
-
(2000)
Accounts of Chemical Research
, vol.33
, Issue.12
, pp. 889-897
-
-
Kollman, P.A.1
Massova, I.2
Reyes, C.3
Kuhn, B.4
Huo, S.5
Chong, L.6
Lee, M.7
Lee, T.8
Duan, Y.9
Wang, W.10
Donini, O.11
-
29
-
-
84961980685
-
Binding of a diverse set of ligands to avidin and streptavidin: An accurate quantitative prediction of their relative affinities by a combination of molecular mechanics and continuum solvent models
-
B. Kuhn, and P.A. Kollman Binding of a diverse set of ligands to avidin and streptavidin: an accurate quantitative prediction of their relative affinities by a combination of molecular mechanics and continuum solvent models J. Med. Chem. 43 20 2000 3786 3791
-
(2000)
J. Med. Chem.
, vol.43
, Issue.20
, pp. 3786-3791
-
-
Kuhn, B.1
Kollman, P.A.2
-
30
-
-
0034212858
-
Use of MM-PB/SA in estimating the free energies of proteins: Application to native, intermediates, and unfolded villin headpiece
-
M.R. Lee, Y. Duan, and P.A. Kollman Use of MM-PB/SA in estimating the free energies of proteins: application to native, intermediates, and unfolded villin headpiece Proteins-Struct. Funct. Genet. 39 4 2000 309 316 (Pubitemid 30414169)
-
(2000)
Proteins: Structure, Function and Genetics
, vol.39
, Issue.4
, pp. 309-316
-
-
Lee, M.R.1
Duan, Y.2
Kollman, P.A.3
-
31
-
-
0034084991
-
Combined molecular mechanical and continuum solvent approach (MM- PBSA/GBSA) to predict ligand binding
-
DOI 10.1023/A:1008763014207
-
I. Massova, and P.A. Kollman Combined molecular mechanical and continuum solvent approach (MM-PBSA/GBSA) to predict ligand binding Perspect. Drug Discov. Des. 18 2000 113 135 (Pubitemid 30191024)
-
(2000)
Perspectives in Drug Discovery and Design
, vol.18
, pp. 113-135
-
-
Massova, I.1
Kollman, P.A.2
-
32
-
-
0034646574
-
Structure and thermodynamics of RNA-protein binding: Using molecular dynamics and free energy analyses to calculate the free energies of binding and conformational change
-
C.M. Reyes, and P.A. Kollman Structure and thermodynamics of RNA-protein binding: using molecular dynamics and free energy analyses to calculate the free energies of binding and conformational change J. Mol. Biol. 297 5 2000 1145 1158
-
(2000)
J. Mol. Biol.
, vol.297
, Issue.5
, pp. 1145-1158
-
-
Reyes, C.M.1
Kollman, P.A.2
-
33
-
-
30344440627
-
-
University of California San Francisco
-
D.A. Case, T.A. Darden, I.T.E. Cheatham, C.L. Simmerling, J. Wang, R.E. Duke, R. Luo, K.M. Merz, D.A. Pearlman, M. Crowley, R.C. Walker, W. Zhang, B. Wang, S. Hayik, A. Roitberg, G. Seabra, K.F. Wong, F. Paesani, X. Wu, S. Brozell, V. Tsui, H. Gohlke, L. Yang, C. Tan, J. Mongan, V. Hornak, G. Cui, P. Beroza, D.H. Mathews, C. Schafmeister, W.S. Ross, and P.A. Kollman AMBER 9 2006 University of California San Francisco
-
(2006)
AMBER
, vol.9
-
-
Case, D.A.1
Darden, T.A.2
Cheatham, I.T.E.3
Simmerling, C.L.4
Wang, J.5
Duke, R.E.6
Luo, R.7
Merz, K.M.8
Pearlman, D.A.9
Crowley, M.10
Walker, R.C.11
Zhang, W.12
Wang, B.13
Hayik, S.14
Roitberg, A.15
Seabra, G.16
Wong, K.F.17
Paesani, F.18
Wu, X.19
Brozell, S.20
Tsui, V.21
Gohlke, H.22
Yang, L.23
Tan, C.24
Mongan, J.25
Hornak, V.26
Cui, G.27
Beroza, P.28
Mathews, D.H.29
Schafmeister, C.30
Ross, W.S.31
Kollman, P.A.32
more..
-
34
-
-
23444454552
-
The Amber biomolecular simulation programs
-
DOI 10.1002/jcc.20290
-
D.A. Case, T.E. Cheatham, T. Darden, H. Gohlke, R. Luo, K.M. Merz, A. Onufriev, C. Simmerling, B. Wang, and R.J. Woods The Amber biomolecular simulation programs J. Comput. Chem. 26 16 2005 1668 1688 (Pubitemid 43076180)
-
(2005)
Journal of Computational Chemistry
, vol.26
, Issue.16
, pp. 1668-1688
-
-
Case, D.A.1
Cheatham III, T.E.2
Darden, T.3
Gohlke, H.4
Luo, R.5
Merz Jr., K.M.6
Onufriev, A.7
Simmerling, C.8
Wang, B.9
Woods, R.J.10
-
35
-
-
0029633186
-
AMBER, a package of computer-programs for applying molecular mechanics, normal-mode analysis, molecular-dynamics and free-energy calculations to simulate the structural and energetic properties of molecules
-
D.A. Pearlman, D.A. Case, J.W. Caldwell, W.S. Ross, T.E. Cheatham, S. Debolt, D. Ferguson, G. Seibel, and P. Kollman AMBER, a package of computer-programs for applying molecular mechanics, normal-mode analysis, molecular-dynamics and free-energy calculations to simulate the structural and energetic properties of molecules Comput. Phys. Commun. 91 1-3 1995 1 41
-
(1995)
Comput. Phys. Commun.
, vol.91
, Issue.13
, pp. 1-41
-
-
Pearlman, D.A.1
Case, D.A.2
Caldwell, J.W.3
Ross, W.S.4
Cheatham, T.E.5
Debolt, S.6
Ferguson, D.7
Seibel, G.8
Kollman, P.9
-
36
-
-
27544455180
-
RNA interference against human papillomavirus oncogenes in cervical cancer cells results in increased sensitivity to cisplatin
-
DOI 10.1124/mol.105.014191
-
L.N. Putral, M.J. Bywater, W. Gu, N.A. Saunders, B.G. Gabrielli, G.R. Leggatt, and N.A. McMillan RNA interference against human papillomavirus oncogenes in cervical cancer cells results in increased sensitivity to cisplatin Mol. Pharmacol. 68 5 2005 1311 1319 (Pubitemid 41539987)
-
(2005)
Molecular Pharmacology
, vol.68
, Issue.5
, pp. 1311-1319
-
-
Putral, L.N.1
Bywater, M.J.2
Gu, W.3
Saunders, N.A.4
Gabrielli, B.G.5
Leggatt, G.R.6
McMillan, N.A.J.7
-
37
-
-
0001398008
-
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
-
J.M. Wang, P. Cieplak, and P.A. Kollman How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? J. Comput. Chem. 21 12 2000 1049 1074
-
(2000)
J. Comput. Chem.
, vol.21
, Issue.12
, pp. 1049-1074
-
-
Wang, J.M.1
Cieplak, P.2
Kollman, P.A.3
-
38
-
-
11144347566
-
Erratum: Development and testing of a general amber force field (Journal of Computational Chemistry (2004) 25 (1157))
-
DOI 10.1002/jcc.20145
-
J.M. Wang, R.M. Wolf, J.W. Caldwell, P.A. Kollman, and D.A. Case Development and testing of a general amber force field (vol 25, pg 1157-1174, 2004) J. Comput. Chem. 26 1 2005 114 (Pubitemid 40021628)
-
(2005)
Journal of Computational Chemistry
, vol.26
, Issue.1
, pp. 114
-
-
Wang, J.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
39
-
-
33846823909
-
Particle mesh Ewald - An n.log(n) method for Ewald sums in large systems
-
T. Darden, D. York, and L. Pedersen Particle mesh Ewald - an n.log(n) method for Ewald sums in large systems J. Chem. Phys. 98 12 1993 10089 10092
-
(1993)
J. Chem. Phys.
, vol.98
, Issue.12
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
40
-
-
33645961739
-
A smooth particle mesh Ewald method
-
U. Essmann, L. Perera, M.L. Berkowitz, T. Darden, H. Lee, and L.G. Pedersen A smooth particle mesh Ewald method J. Chem. Phys. 103 19 1995 8577 8593
-
(1995)
J. Chem. Phys.
, vol.103
, Issue.19
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
41
-
-
0031334264
-
Adventures in Improving the Scaling and Accuracy of a Parallel Molecular Dynamics Program
-
M.F. Crowley, T.A. Darden, T.E. Cheatham, and D.W. Deerfield Adventures in improving the scaling and accuracy of a parallel molecular dynamics program J. Supercomput. 11 3 1997 255 278 (Pubitemid 127507287)
-
(1997)
Journal of Supercomputing
, vol.11
, Issue.3
, pp. 255-278
-
-
Crowley, M.F.1
Darden, T.A.2
Cheatham III, T.E.3
Deerfield II, D.W.4
-
42
-
-
0003879302
-
-
L.R. Pratt, G. Hummer, Santa Fe, Nm, 23-25
-
C. Sagui, and T.A. Darden L.R. Pratt, G. Hummer, P3M and PME: A Comparison of the Two Methods, Workshop on Treatment of Electrostatic Interactions in Computer Simulations of Condensed Media Jun. 23-25 1999 104 113 Santa Fe, Nm
-
(1999)
P3M and PME: A Comparison of the Two Methods, Workshop on Treatment of Electrostatic Interactions in Computer Simulations of Condensed Media
, pp. 104-113
-
-
Sagui, C.1
Darden, T.A.2
-
43
-
-
0034506266
-
Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions
-
DOI 10.1063/1.1324708
-
A. Toukmaji, C. Sagui, J. Board, and T. Darden Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions J. Chem. Phys. 113 24 2000 10913 10927 (Pubitemid 32087579)
-
(2000)
Journal of Chemical Physics
, vol.113
, Issue.24
, pp. 10913-10927
-
-
Toukmaji, A.1
Sagui, C.2
Board, J.3
Darden, T.4
-
44
-
-
0942288583
-
Towards an accurate representation of electrostatics in classical force fields: Efficient implementation of multipolar interactions in biomolecular simulations
-
C. Sagui, L.G. Pedersen, and T.A. Darden Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulations J. Chem. Phys. 120 1 2004 73 87
-
(2004)
J. Chem. Phys.
, vol.120
, Issue.1
, pp. 73-87
-
-
Sagui, C.1
Pedersen, L.G.2
Darden, T.A.3
-
45
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, and M.L. Klein Comparison of simple potential functions for simulating liquid water J. Chem. Phys. 79 2 1983 926 935
-
(1983)
J. Chem. Phys.
, vol.79
, Issue.2
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
48
-
-
33646940952
-
Numerical-integration of Cartesian equations of motion of a system with constrains - Molecular dynamics of n-alkanes
-
J.P. Ryckaert, G. Ciccotti, and H.J.C. Berendsen Numerical-integration of Cartesian equations of motion of a system with constrains - molecular dynamics of n-alkanes J. Comput. Phys. 23 3 1977 327 341
-
(1977)
J. Comput. Phys.
, vol.23
, Issue.3
, pp. 327-341
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
49
-
-
58149163268
-
A vulnerability in popular molecular dynamics packages concerning Langevin and Andersen dynamics
-
D.S. Cerutti, R. Duke, P.L. Freddolino, H. Fan, and T.P. Lybrand A vulnerability in popular molecular dynamics packages concerning Langevin and Andersen dynamics J. Chem. Theory Comput. 4 10 2008 1669 1680
-
(2008)
J. Chem. Theory Comput.
, vol.4
, Issue.10
, pp. 1669-1680
-
-
Cerutti, D.S.1
Duke, R.2
Freddolino, P.L.3
Fan, H.4
Lybrand, T.P.5
-
50
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
H.J.C. Berendsen, J.P.M. Postma, W.F. Vangunsteren, A. Dinola, and J.R. Haak Molecular dynamics with coupling to an external bath J. Chem. Phys. 81 8 1984 3684 3690
-
(1984)
J. Chem. Phys.
, vol.81
, Issue.8
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Vangunsteren, W.F.3
Dinola, A.4
Haak, J.R.5
-
51
-
-
0242509772
-
Self-guided Langevin dynamics simulation method
-
X.W. Wu, and B.R. Brooks Self-guided Langevin dynamics simulation method Chem. Phys. Lett. 381 3-4 2003 512 518
-
(2003)
Chem. Phys. Lett.
, vol.381
, Issue.34
, pp. 512-518
-
-
Wu, X.W.1
Brooks, B.R.2
-
52
-
-
0036771626
-
Accelerated Poisson-Boltzmann calculations for static and dynamic systems
-
DOI 10.1002/jcc.10120
-
R. Luo, L. David, and M.K. Gilson Accelerated Poisson-Boltzmann calculations for static and dynamic systems J. Comput. Chem. 23 13 2002 1244 1253 (Pubitemid 35009216)
-
(2002)
Journal of Computational Chemistry
, vol.23
, Issue.13
, pp. 1244-1253
-
-
Luo, R.1
David, L.2
Gilson, M.K.3
-
53
-
-
0347410858
-
A Poisson-Boltzmann dynamics method with nonperiodic boundary condition
-
Q. Lu, and R. Luo A Poisson-Boltzmann dynamics method with nonperiodic boundary condition J. Chem. Phys. 119 21 2003 11035 11047
-
(2003)
J. Chem. Phys.
, vol.119
, Issue.21
, pp. 11035-11047
-
-
Lu, Q.1
Luo, R.2
-
54
-
-
0029016182
-
Classical electrostatics in biology and chemistry
-
B. Honig, and A. Nicholls Classical electrostatics in biology and chemistry Science (New York, N.Y) 268 5214 1995 1144 1149
-
(1995)
Science (New York, N.Y)
, vol.268
, Issue.5214
, pp. 1144-1149
-
-
Honig, B.1
Nicholls, A.2
-
55
-
-
0344778061
-
Semianalytical treatment of solvation for molecular mechanics and dynamics
-
W.C. Still, A. Tempczyk, R.C. Hawley, and T. Hendrickson Semianalytical treatment of solvation for molecular mechanics and dynamics J. Am. Chem. Soc. 112 16 1990 6127 6129
-
(1990)
J. Am. Chem. Soc.
, vol.112
, Issue.16
, pp. 6127-6129
-
-
Still, W.C.1
Tempczyk, A.2
Hawley, R.C.3
Hendrickson, T.4
-
56
-
-
0000043930
-
Solvation free energy of biomacromolecules: Parameters for a modified generalized born model consistent with the AMBER force field
-
B. Jayaram, D. Sprous, and D.L. Beveridge Solvation free energy of biomacromolecules: parameters for a modified generalized born model consistent with the AMBER force field J. Phys. Chem. B 102 47 1998 9571 9576 (Pubitemid 128611876)
-
(1998)
Journal of Physical Chemistry B
, vol.102
, Issue.47
, pp. 9571-9576
-
-
Jayaram, B.1
Sprous, D.2
Beveridge, D.L.3
-
57
-
-
84961981091
-
Implicit solvation models: Equilibria, structure, spectra, and dynamics
-
C.J. Cramer, and D.G. Truhlar Implicit solvation models: equilibria, structure, spectra, and dynamics Chem. Rev. 99 8 1999 2161 2200 (Pubitemid 129585183)
-
(1999)
Chemical Reviews
, vol.99
, Issue.8
, pp. 2161-2200
-
-
Cramer, C.J.1
Truhlar, D.G.2
-
58
-
-
0033654297
-
Generalized born models of macromolecular solvation effects
-
D. Bashford, and D.A. Case Generalized born models of macromolecular solvation effects Annu. Rev. Phys. Chem. 51 2000 129 152
-
(2000)
Annu. Rev. Phys. Chem.
, vol.51
, pp. 129-152
-
-
Bashford, D.1
Case, D.A.2
-
59
-
-
20644449471
-
Modification of the generalized Born model suitable for macromolecules
-
A. Onufriev, D. Bashford, and D.A. Case Modification of the generalized Born model suitable for macromolecules J. Phys. Chem. B 104 15 2000 3712 3720
-
(2000)
J. Phys. Chem. B
, vol.104
, Issue.15
, pp. 3712-3720
-
-
Onufriev, A.1
Bashford, D.2
Case, D.A.3
-
62
-
-
0029011701
-
A 2nd generation force field for the simulation of proteins, nucleic acids, and organic molecules
-
W.D. Cornell, P. Cieplak, C.I. Bayly, I.R. Gould, K.M. Merz, D.M. Ferguson, D.C. Spellmeyer, T. Fox, J.W. Caldwell, and P.A. Kollman A 2nd generation force field for the simulation of proteins, nucleic acids, and organic molecules J. Am. Chem. Soc. 117 19 1995 5179 5197
-
(1995)
J. Am. Chem. Soc.
, vol.117
, Issue.19
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
63
-
-
32844457567
-
Accurate calculation of hydration free-energies using macroscopic solvent models
-
D. Sitkoff, K.A. Sharp, and B. Honig Accurate calculation of hydration free-energies using macroscopic solvent models J. Phys. Chem-Us. 98 7 1994 1978 1988
-
(1994)
J. Phys. Chem-Us.
, vol.98
, Issue.7
, pp. 1978-1988
-
-
Sitkoff, D.1
Sharp, K.A.2
Honig, B.3
-
64
-
-
0000538815
-
Analytical molecular-surface calculation
-
OCT
-
M.L. Connolly Analytical molecular-surface calculation J. Appl. Crystallogr. 16 OCT 1983 548 558
-
(1983)
J. Appl. Crystallogr.
, vol.16
, pp. 548-558
-
-
Connolly, M.L.1
-
65
-
-
77954694522
-
Structure, dynamics, and energetics of siRNA-cationic vector complexation: A molecular dynamics study
-
D. Ouyang, H. Zhang, D.P. Herten, H.S. Parekh, and S.C. Smith Structure, dynamics, and energetics of siRNA-cationic vector complexation: a molecular dynamics study J. Phys. Chem. B 114 28 2010 9220 9230
-
(2010)
J. Phys. Chem. B
, vol.114
, Issue.28
, pp. 9220-9230
-
-
Ouyang, D.1
Zhang, H.2
Herten, D.P.3
Parekh, H.S.4
Smith, S.C.5
-
66
-
-
77749280012
-
Ability to Adapt: Different generations of PAMAM dendrimers show different behaviors in binding siRNA
-
G.M. Pavan, L. Albertazzi, and A. Danani Ability to Adapt: Different generations of PAMAM dendrimers show different behaviors in binding siRNA J. Phys. Chem. B114 8 2010 2667 2675
-
(2010)
J. Phys. Chem.
, vol.114 B
, Issue.8
, pp. 2667-2675
-
-
Pavan, G.M.1
Albertazzi, L.2
Danani, A.3
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