-
1
-
-
9144221550
-
Antimicrobial resistance trends and outbreak frequency in United States hospitals
-
Diekema DJ, BootsMiller BJ, Vaughn TE, Woolson RF, Yankey JW, Ernst EJ, Flach SD, Ward MM, Franciscus CLJ, Pfaller MA, et al,. (2004) Antimicrobial resistance trends and outbreak frequency in United States hospitals. Clin Infect Dis 38, 78-85.
-
(2004)
Clin Infect Dis
, vol.38
, pp. 78-85
-
-
Diekema, D.J.1
Bootsmiller, B.J.2
Vaughn, T.E.3
Woolson, R.F.4
Yankey, J.W.5
Ernst, E.J.6
Flach, S.D.7
Ward, M.M.8
Franciscus, C.L.J.9
Pfaller, M.A.10
-
2
-
-
14844339524
-
Glycopeptide and lipoglycopeptide antibiotics
-
Kahne D, Leimkuhler C, Lu W, &, Walsh C, (2005) Glycopeptide and lipoglycopeptide antibiotics. Chem Rev 105, 425-448.
-
(2005)
Chem Rev
, vol.105
, pp. 425-448
-
-
Kahne, D.1
Leimkuhler, C.2
Lu, W.3
Walsh, C.4
-
3
-
-
0033880691
-
The structural biology of molecular recognition by vancomycin
-
Loll PJ, &, Axelsen PH, (2000) The structural biology of molecular recognition by vancomycin. Annu Rev Biophys Biomol Struct 29, 265-289.
-
(2000)
Annu Rev Biophys Biomol Struct
, vol.29
, pp. 265-289
-
-
Loll, P.J.1
Axelsen, P.H.2
-
4
-
-
0023772266
-
Intramolecular determinants of conformation and mobility within the antibiotic vancomycin
-
Waltho JP, Williams DH, Stone DJM, &, Skelton NJ, (1988) Intramolecular determinants of conformation and mobility within the antibiotic vancomycin. J Am Chem Soc 110, 5638-5643.
-
(1988)
J Am Chem Soc
, vol.110
, pp. 5638-5643
-
-
Waltho, J.P.1
Williams, D.H.2
Stone, D.J.M.3
Skelton, N.J.4
-
5
-
-
0038527474
-
Vancomycin: Conformational consequences of the sugar substituent
-
Grdadolnik SG, Pristovšek P, &, Mierke DF, (1998) Vancomycin: conformational consequences of the sugar substituent. J Med Chem 41, 2090-2099.
-
(1998)
J Med Chem
, vol.41
, pp. 2090-2099
-
-
Grdadolnik, S.G.1
Pristovšek, P.2
Mierke, D.F.3
-
6
-
-
0027500691
-
Acid-base properties and proton-speciation of vancomycin
-
Takács-Novák K, Noszál B, Tõkés- Kövesdi M, &, Szász G, (1993) Acid-base properties and proton-speciation of vancomycin. Int J Pharm 89, 261-263.
-
(1993)
Int J Pharm
, vol.89
, pp. 261-263
-
-
Takács-Novák, K.1
Noszál, B.2
Tõkés- Kövesdi, M.3
Szász, G.4
-
7
-
-
56449093547
-
Lipid II: A central component in bacterial cell wall synthesis and a target for antibiotics
-
de Kruijff B, van Dam V, &, Breukink E, (2008) Lipid II: a central component in bacterial cell wall synthesis and a target for antibiotics. Prostagl Leukotr Ess 79, 117-121.
-
(2008)
Prostagl Leukotr Ess
, vol.79
, pp. 117-121
-
-
De Kruijff, B.1
Van Dam, V.2
Breukink, E.3
-
9
-
-
34248341732
-
Transmembrane transport of peptidoglycan precursors across model and bacterial membranes
-
van Dam V, Sijbrandi R, Kol M, Swiezewska E, de Kruijff B, &, Breukink E, (2007) Transmembrane transport of peptidoglycan precursors across model and bacterial membranes. Mol Microbiol 64, 1105-1114.
-
(2007)
Mol Microbiol
, vol.64
, pp. 1105-1114
-
-
Van Dam, V.1
Sijbrandi, R.2
Kol, M.3
Swiezewska, E.4
De Kruijff, B.5
Breukink, E.6
-
10
-
-
0242684484
-
Getting closer to the real bacterial cell wall target: Biomolecular interactions of water-soluble lipid II with glycopeptide antibiotics
-
Vollmerhaus PJ, Breukink E, &, Heck AJR, (2003) Getting closer to the real bacterial cell wall target: biomolecular interactions of water-soluble lipid II with glycopeptide antibiotics. Chemistry 9, 1556-1565.
-
(2003)
Chemistry
, vol.9
, pp. 1556-1565
-
-
Vollmerhaus, P.J.1
Breukink, E.2
Heck, A.J.R.3
-
11
-
-
0030589727
-
Crystal structure of vancomycin
-
Schäfer M, Schneider TR, &, Sheldrick GM, (1996) Crystal structure of vancomycin. Structure 4, 1509-1515.
-
(1996)
Structure
, vol.4
, pp. 1509-1515
-
-
Schäfer, M.1
Schneider, T.R.2
Sheldrick, G.M.3
-
12
-
-
58649120796
-
Crystal structures of the complexes between vancomycin and cell-wall precursor analogs
-
Nitanai Y, Kikuchi T, Kakoi K, Hanamaki S, Fujisawa I, &, Aoki K, (2009) Crystal structures of the complexes between vancomycin and cell-wall precursor analogs. J Mol Biol 385, 1422-1432.
-
(2009)
J Mol Biol
, vol.385
, pp. 1422-1432
-
-
Nitanai, Y.1
Kikuchi, T.2
Kakoi, K.3
Hanamaki, S.4
Fujisawa, I.5
Aoki, K.6
-
13
-
-
0020546708
-
Detailed binding sites of the antibiotics vancomycin and ristocetin A: Determination of intermolecular distances in antibiotic/substrate complexes by use of the time-dependent NOE
-
Williams DH, Williamson MP, Butcher DW, &, Hammond SJ, (1983) Detailed binding sites of the antibiotics vancomycin and ristocetin A: determination of intermolecular distances in antibiotic/substrate complexes by use of the time-dependent NOE. J Am Chem Soc 105, 1332-1339.
-
(1983)
J Am Chem Soc
, vol.105
, pp. 1332-1339
-
-
Williams, D.H.1
Williamson, M.P.2
Butcher, D.W.3
Hammond, S.J.4
-
14
-
-
0032077350
-
A ligand-mediated dimerization mode for vancomycin
-
Loll PJ, Miller R, Weeks CM, &, Axelsen PH, (1998) A ligand-mediated dimerization mode for vancomycin. Chem Biol 5, 293-298.
-
(1998)
Chem Biol
, vol.5
, pp. 293-298
-
-
Loll, P.J.1
Miller, R.2
Weeks, C.M.3
Axelsen, P.H.4
-
15
-
-
0030897582
-
Simultaneous recognition of a carboxylate-containing ligand and an intramolecular surrogate ligand in the crystal structure of an asymmetric vancomycin dimer
-
Loll PJ, Bevivino AE, Korty BD, &, Axelsen PH, (1997) Simultaneous recognition of a carboxylate-containing ligand and an intramolecular surrogate ligand in the crystal structure of an asymmetric vancomycin dimer. J Am Chem Soc 119, 1516-1522.
-
(1997)
J Am Chem Soc
, vol.119
, pp. 1516-1522
-
-
Loll, P.J.1
Bevivino, A.E.2
Korty, B.D.3
Axelsen, P.H.4
-
16
-
-
0033524010
-
Vancomycin binding to low-affinity ligands: Delineating a minimum set of interactions necessary for high-affinity binding
-
Loll PJ, Kaplan J, Selinsky BS, &, Axelsen PH, (1999) Vancomycin binding to low-affinity ligands: delineating a minimum set of interactions necessary for high-affinity binding. J Med Chem 42, 4714-4719.
-
(1999)
J Med Chem
, vol.42
, pp. 4714-4719
-
-
Loll, P.J.1
Kaplan, J.2
Selinsky, B.S.3
Axelsen, P.H.4
-
17
-
-
57749191948
-
Vancomycin forms ligand-mediated supramolecular complexes
-
Loll PJ, Derhovanessian A, Shapovalov MV, Kaplan J, Yang L, &, Axelsen PH, (2009) Vancomycin forms ligand-mediated supramolecular complexes. J Mol Biol 385, 200-211.
-
(2009)
J Mol Biol
, vol.385
, pp. 200-211
-
-
Loll, P.J.1
Derhovanessian, A.2
Shapovalov, M.V.3
Kaplan, J.4
Yang, L.5
Axelsen, P.H.6
-
18
-
-
0033519259
-
The vancomycin group of antibiotics and the fight against resistant bacteria
-
Williams DH, &, Bardsley B, (1999) The vancomycin group of antibiotics and the fight against resistant bacteria. Angew Chem Int Ed 38, 1172-1193.
-
(1999)
Angew Chem Int Ed
, vol.38
, pp. 1172-1193
-
-
Williams, D.H.1
Bardsley, B.2
-
19
-
-
0042709547
-
Partitioning the loss in vancomycin binding affinity for d -Ala- d -Lac into lost H-bond and repulsive lone pair contributions
-
McComas CC, Crowley BM, &, Boger DL, (2003) Partitioning the loss in vancomycin binding affinity for d -Ala- d -Lac into lost H-bond and repulsive lone pair contributions. J Am Chem Soc 125, 9314-9315.
-
(2003)
J Am Chem Soc
, vol.125
, pp. 9314-9315
-
-
McComas, C.C.1
Crowley, B.M.2
Boger, D.L.3
-
20
-
-
0032076269
-
An analysis of the origins of a cooperative binding energy of dimerization
-
Williams DH, Maguire AJ, Tsuzuki W, &, Westwell MS, (1998) An analysis of the origins of a cooperative binding energy of dimerization. Science 280, 711-714.
-
(1998)
Science
, vol.280
, pp. 711-714
-
-
Williams, D.H.1
Maguire, A.J.2
Tsuzuki, W.3
Westwell, M.S.4
-
21
-
-
0031106867
-
Use of capillary electrophoresis to measure dimerization of glycopeptide antibiotics
-
LeTourneau DL, &, Allen NE, (1997) Use of capillary electrophoresis to measure dimerization of glycopeptide antibiotics. Anal Biochem 246, 62-66.
-
(1997)
Anal Biochem
, vol.246
, pp. 62-66
-
-
Letourneau, D.L.1
Allen, N.E.2
-
22
-
-
0029877781
-
Dimerization of A82846B, vancomycin and ristocetin: Influence on antibiotic complexation with cell wall model peptides
-
Linsdell H, Toiron C, Bruix M, Rivas G, &, Menénde M, (1996) Dimerization of A82846B, vancomycin and ristocetin: influence on antibiotic complexation with cell wall model peptides. J Antibiot 49, 181-193.
-
(1996)
J Antibiot
, vol.49
, pp. 181-193
-
-
Linsdell, H.1
Toiron, C.2
Bruix, M.3
Rivas, G.4
Menénde, M.5
-
23
-
-
33748600422
-
Thermodynamics and kinetics of dissociation of ligand-induced dimers of vancomycin antibiotics
-
McPhail D, &, Cooper A, (1997) Thermodynamics and kinetics of dissociation of ligand-induced dimers of vancomycin antibiotics. J Chem Soc, Faraday Trans 93, 2283-2289.
-
(1997)
J Chem Soc, Faraday Trans
, vol.93
, pp. 2283-2289
-
-
McPhail, D.1
Cooper, A.2
-
24
-
-
37049086585
-
Preparation and conformational analysis of vancomycin hexapeptide and aglucovancomycin hexapeptide
-
Booth PM, &, Williams DH, (1989) Preparation and conformational analysis of vancomycin hexapeptide and aglucovancomycin hexapeptide. J Chem Soc Perkin Trans 1, 2335-2339.
-
(1989)
J Chem Soc Perkin Trans
, vol.1
, pp. 2335-2339
-
-
Booth, P.M.1
Williams, D.H.2
-
25
-
-
0242585455
-
Configurational entropy and cooperativity between ligand binding and dimerization in glycopeptide antibiotics
-
Jusuf S, Loll PJ, &, Axelsen PH, (2003) Configurational entropy and cooperativity between ligand binding and dimerization in glycopeptide antibiotics. J Am Chem Soc 125, 3988-3994.
-
(2003)
J Am Chem Soc
, vol.125
, pp. 3988-3994
-
-
Jusuf, S.1
Loll, P.J.2
Axelsen, P.H.3
-
26
-
-
84961983982
-
Quantum simulations of the structure and binding of glycopeptide antibiotic aglycons to cell wall analogues
-
Lee JG, Sagui C, &, Roland C, (2005) Quantum simulations of the structure and binding of glycopeptide antibiotic aglycons to cell wall analogues. J Phys Chem B 109, 20588-20596.
-
(2005)
J Phys Chem B
, vol.109
, pp. 20588-20596
-
-
Lee, J.G.1
Sagui, C.2
Roland, C.3
-
27
-
-
58149158110
-
Experimental and theoretical studies of the structures and interactions of vancomycin antibiotics with cell wall analogues
-
Yang Z, Vorpagel ER, &, Laskin J, (2008) Experimental and theoretical studies of the structures and interactions of vancomycin antibiotics with cell wall analogues. J Am Chem Soc 130, 13013-13022.
-
(2008)
J Am Chem Soc
, vol.130
, pp. 13013-13022
-
-
Yang, Z.1
Vorpagel, E.R.2
Laskin, J.3
-
28
-
-
82955168980
-
The effect of environment on the recognition and binding of vancomycin to native and resistant forms of lipid II
-
Jia Z, O'Mara ML, Zuegg J, Cooper MA, &, Mark AE, (2011) The effect of environment on the recognition and binding of vancomycin to native and resistant forms of lipid II. Biophys J 101, 2684-2692.
-
(2011)
Biophys J
, vol.101
, pp. 2684-2692
-
-
Jia, Z.1
O'Mara, M.L.2
Zuegg, J.3
Cooper, M.A.4
Mark, A.E.5
-
29
-
-
0029159990
-
Cooperativity between non-polar and ionic forces in the binding of bacterial cell wall analogues by vancomycin in aqueous solution
-
Cristofaro MF, Beauregard DA, Yan H, Osborn NJ, &, Williams DH, (1995) Cooperativity between non-polar and ionic forces in the binding of bacterial cell wall analogues by vancomycin in aqueous solution. J Antibiot 48, 805-810.
-
(1995)
J Antibiot
, vol.48
, pp. 805-810
-
-
Cristofaro, M.F.1
Beauregard, D.A.2
Yan, H.3
Osborn, N.J.4
Williams, D.H.5
-
30
-
-
0023903812
-
Function of the amino sugar and N-terminal amino acid of the antibiotic vancomycin in its complexation with cell wall peptides
-
Kannan R, Harris CM, Harris TM, Waltho JP, Skelton NJ, &, Williams DH, (1988) Function of the amino sugar and N-terminal amino acid of the antibiotic vancomycin in its complexation with cell wall peptides. J Am Chem Soc 110, 2946-2953.
-
(1988)
J Am Chem Soc
, vol.110
, pp. 2946-2953
-
-
Kannan, R.1
Harris, C.M.2
Harris, T.M.3
Waltho, J.P.4
Skelton, N.J.5
Williams, D.H.6
-
31
-
-
0033538325
-
High affinity surface binding of a strongly dimerizing vancomycin-group antibiotic to a model of resistant bacteria
-
O'Brien DP, Entress RMH, Cooper MA, O'Brien SW, Hopkinson A, &, Williams DH, (1999) High affinity surface binding of a strongly dimerizing vancomycin-group antibiotic to a model of resistant bacteria. J Am Chem Soc 121, 5259-5265.
-
(1999)
J Am Chem Soc
, vol.121
, pp. 5259-5265
-
-
O'Brien, D.P.1
Entress, R.M.H.2
Cooper, M.A.3
O'Brien, S.W.4
Hopkinson, A.5
Williams, D.H.6
-
32
-
-
0031576683
-
The roles of dimerization and membrane anchoring in activity of glycopeptide antibiotics against vancomycin-resistant bacteria
-
Sharman GJ, Try AC, Dancer RJ, Cho YR, Staroske T, Bardsley B, Maguire AJ, Cooper MA, O'Brien DP, &, Williams DH, (1997) The roles of dimerization and membrane anchoring in activity of glycopeptide antibiotics against vancomycin-resistant bacteria. J Am Chem Soc 119, 12041-12047.
-
(1997)
J Am Chem Soc
, vol.119
, pp. 12041-12047
-
-
Sharman, G.J.1
Try, A.C.2
Dancer, R.J.3
Cho, Y.R.4
Staroske, T.5
Bardsley, B.6
Maguire, A.J.7
Cooper, M.A.8
O'Brien, D.P.9
Williams, D.H.10
-
33
-
-
0030479181
-
Novel vancomycin dimers with activity against vancomycin-resistant Enterococci
-
Sundram UN, Griffin JH, &, Nicas TI, (1996) Novel vancomycin dimers with activity against vancomycin-resistant Enterococci. J Am Chem Soc 118, 13107-13108.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 13107-13108
-
-
Sundram, U.N.1
Griffin, J.H.2
Nicas, T.I.3
-
34
-
-
0035801386
-
Synthesis and biological evaluation of vancomycin dimers with potent activity against vancomycin-resistant bacteria: Target-accelerated combinatorial synthesis
-
Nicolaou KC, Hughes R, Cho SY, Winssinger N, Labischinski H, &, Endermann R, (2001) Synthesis and biological evaluation of vancomycin dimers with potent activity against vancomycin-resistant bacteria: target-accelerated combinatorial synthesis. Chemistry 7, 3824-3843.
-
(2001)
Chemistry
, vol.7
, pp. 3824-3843
-
-
Nicolaou, K.C.1
Hughes, R.2
Cho, S.Y.3
Winssinger, N.4
Labischinski, H.5
Endermann, R.6
-
35
-
-
0023856535
-
Molecular basis of the activity of antibiotics of the vancomycin group
-
Williams DH, &, Waltho JP, (1988) Molecular basis of the activity of antibiotics of the vancomycin group. Biochem Pharmacol 37, 133-141.
-
(1988)
Biochem Pharmacol
, vol.37
, pp. 133-141
-
-
Williams, D.H.1
Waltho, J.P.2
-
36
-
-
20044363986
-
Telavancin, a multifunctional lipoglycopeptide, disrupts both cell wall synthesis and cell membrane integrity in methicillin-resistant Staphylococcus aureus
-
Higgins DL, Chang R, Debabov DV, Leung J, Wu T, Krause KM, Sandvik E, Hubbard JM, Kaniga K, Schmidt DE, et al,. (2005) Telavancin, a multifunctional lipoglycopeptide, disrupts both cell wall synthesis and cell membrane integrity in methicillin-resistant Staphylococcus aureus. Antimicrob Agents Chemother 49, 1127-1134.
-
(2005)
Antimicrob Agents Chemother
, vol.49
, pp. 1127-1134
-
-
Higgins, D.L.1
Chang, R.2
Debabov, D.V.3
Leung, J.4
Wu, T.5
Krause, K.M.6
Sandvik, E.7
Hubbard, J.M.8
Kaniga, K.9
Schmidt, D.E.10
-
37
-
-
46249122132
-
In vitro activity of telavancin against resistant Gram-positive bacteria
-
Krause KM, Renelli M, Difuntorum S, Wu TX, Debabov DV, &, Benton BM, (2008) In vitro activity of telavancin against resistant Gram-positive bacteria. Antimicrob Agents Chemother 52, 2647-2652.
-
(2008)
Antimicrob Agents Chemother
, vol.52
, pp. 2647-2652
-
-
Krause, K.M.1
Renelli, M.2
Difuntorum, S.3
Wu, T.X.4
Debabov, D.V.5
Benton, B.M.6
-
38
-
-
0242653645
-
Semi-synthetic glycopeptide antibacterials
-
Judice JK, &, Pace JL, (2003) Semi-synthetic glycopeptide antibacterials. Bioorg Med Chem Lett 13, 4165-4168.
-
(2003)
Bioorg Med Chem Lett
, vol.13
, pp. 4165-4168
-
-
Judice, J.K.1
Pace, J.L.2
-
39
-
-
33748766086
-
An alternative bactericidal mechanism of action for lantibiotic peptides that target lipid II
-
Hasper HE, Kramer NE, Smith JL, Hillman JD, Zachariah C, Kuipers OP, de Kruijff B, &, Breukink E, (2006) An alternative bactericidal mechanism of action for lantibiotic peptides that target lipid II. Science 313, 1636-1637.
-
(2006)
Science
, vol.313
, pp. 1636-1637
-
-
Hasper, H.E.1
Kramer, N.E.2
Smith, J.L.3
Hillman, J.D.4
Zachariah, C.5
Kuipers, O.P.6
De Kruijff, B.7
Breukink, E.8
-
40
-
-
46249092554
-
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
-
Hess B, Kutzner C, van der Spoel D, &, Lindahl E, (2008) GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation. J Chem Theory Comput 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
-
41
-
-
79959713919
-
Definition and testing of the GROMOS force-field versions 54A7 and 54B7
-
Schmid N, Eichenberger AP, Choutko A, Riniker S, Winger M, Mark AE, &, van Gunsteren WF, (2011) Definition and testing of the GROMOS force-field versions 54A7 and 54B7. Eur Biophys J 40, 843-856.
-
(2011)
Eur Biophys J
, vol.40
, pp. 843-856
-
-
Schmid, N.1
Eichenberger, A.P.2
Choutko, A.3
Riniker, S.4
Winger, M.5
Mark, A.E.6
Van Gunsteren, W.F.7
-
42
-
-
84961981789
-
An automated force field topology builder (ATB) and repository: Version 1.0
-
Malde AK, Zuo L, Breeze M, Stroet M, Poger D, Nair PC, Oostenbrink C, &, Mark AE, (2011) An automated force field topology builder (ATB) and repository: Version 1.0. J Chem Theory Comput 7, 4026-4037.
-
(2011)
J Chem Theory Comput
, vol.7
, pp. 4026-4037
-
-
Malde, A.K.1
Zuo, L.2
Breeze, M.3
Stroet, M.4
Poger, D.5
Nair, P.C.6
Oostenbrink, C.7
Mark, A.E.8
-
43
-
-
0002775934
-
Interaction models for water in relation to protein hydration
-
(Pullman B. ed.), Reidel, Dordrecht
-
Berendsen HJC, Postma JPM, van Gunsteren WF, &, Hermans J, (1981) Interaction models for water in relation to protein hydration. In Intermolecular Forces (, Pullman B, ed.), pp. 331-342. Reidel, Dordrecht.
-
(1981)
Intermolecular Forces
, pp. 331-342
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Hermans, J.4
-
44
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
Berendsen HJC, Postma JPM, van Gunsteren WF, DiNola A, &, Haak JR, (1984) Molecular dynamics with coupling to an external bath. J Chem Phys 81, 3684.
-
(1984)
J Chem Phys
, vol.81
, pp. 3684
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Dinola, A.4
Haak, J.R.5
-
45
-
-
0000388705
-
LINCS: A linear constraint solver for molecular simulations
-
Hess B, Bekker H, Berendsen HJC, &, Fraaije JGEM, (1997) LINCS: a linear constraint solver for molecular simulations. J Comput Chem 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.4
-
46
-
-
84986440341
-
SETTLE: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
-
Miyamoto S, &, Kollman PA, (1992) SETTLE: an analytical version of the SHAKE and RATTLE algorithm for rigid water models. J Comput Chem 13, 952-962.
-
(1992)
J Comput Chem
, vol.13
, pp. 952-962
-
-
Miyamoto, S.1
Kollman, P.A.2
-
47
-
-
0001585978
-
Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems
-
Feenstra KA, Hess B, &, Berendsen HJC, (1999) Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems. J Comput Chem 20, 786-798.
-
(1999)
J Comput Chem
, vol.20
, pp. 786-798
-
-
Feenstra, K.A.1
Hess, B.2
Berendsen, H.J.C.3
-
48
-
-
33744498094
-
Mercury: Visualization and analysis of crystal structures
-
Macrae CF, Edgington PR, McCabe P, Pidcock E, Shields GP, Taylor R, Towler M, &, van de Streek J, (2006) Mercury: visualization and analysis of crystal structures. J Appl Crystallogr 39, 453-457.
-
(2006)
J Appl Crystallogr
, vol.39
, pp. 453-457
-
-
MacRae, C.F.1
Edgington, P.R.2
McCabe, P.3
Pidcock, E.4
Shields, G.P.5
Taylor, R.6
Towler, M.7
Van De Streek, J.8
-
49
-
-
33846823909
-
Particle mesh Ewald: An N-log (N) method for Ewald sums in large systems
-
Darden T, York D, &, Pedersen L, (1993) Particle mesh Ewald: An N-log (N) method for Ewald sums in large systems. J Chem Phys 98, 10089.
-
(1993)
J Chem Phys
, vol.98
, pp. 10089
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
50
-
-
4544369164
-
A generalized reaction field method for molecular dynamics simulations
-
Tironi IG, Sperb R, Smith PE, &, van Gunsteren WF, (1995) A generalized reaction field method for molecular dynamics simulations. J Chem Phys 102, 5451.
-
(1995)
J Chem Phys
, vol.102
, pp. 5451
-
-
Tironi, I.G.1
Sperb, R.2
Smith, P.E.3
Van Gunsteren, W.F.4
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