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Results: 1-18 |
Results: 18
Re-examination of the intrinsic, dynamic and hydration properties of phosphoramidate DNA
Authors: Banavali, NK MacKerell, AD
Citation: Nk. Banavali et Ad. Mackerell, Re-examination of the intrinsic, dynamic and hydration properties of phosphoramidate DNA, NUCL ACID R, 29(15), 2001, pp. 3219-3230
Reevaluation of stereoelectronic contributions to the conformational properties of the phosphodiester and N3'-phosphoramidate moieties of nucleic acids
Authors: Banavali, NK MacKerell, AD
Citation: Nk. Banavali et Ad. Mackerell, Reevaluation of stereoelectronic contributions to the conformational properties of the phosphodiester and N3'-phosphoramidate moieties of nucleic acids, J AM CHEM S, 123(28), 2001, pp. 6747-6755
Introduction
Authors: Becker, OM MacKerell, AD Roux, B Watanabe, M
Citation: Om. Becker et al., Introduction, COMPUTATIONAL BIOCHEMISTRY AND BIOPHYSICS, 2001, pp. 1-6
Atomistic models and force fields
Authors: MacKerell, AD
Citation: Ad. Mackerell, Atomistic models and force fields, COMPUTATIONAL BIOCHEMISTRY AND BIOPHYSICS, 2001, pp. 7-38
Nucleic acid simulations
Authors: MacKerell, AD Nilsson, L
Citation: Ad. Mackerell et L. Nilsson, Nucleic acid simulations, COMPUTATIONAL BIOCHEMISTRY AND BIOPHYSICS, 2001, pp. 441-463
An improved empirical potential energy function for molecular simulations of phospholipids
Authors: Feller, SE MacKerell, AD
Citation: Se. Feller et Ad. Mackerell, An improved empirical potential energy function for molecular simulations of phospholipids, J PHYS CH B, 104(31), 2000, pp. 7510-7515
Computation of the influence of chemical substitution on the pK(a) of pyridine using semiempirical and ab initio methods
Authors: Chen, IJ MacKerell, AD
Citation: Ij. Chen et Ad. Mackerell, Computation of the influence of chemical substitution on the pK(a) of pyridine using semiempirical and ab initio methods, THEOR CH AC, 103(6), 2000, pp. 483-494
Identification of HIV-1 integrase inhibitors via three-dimensional database searching using ASV and HIV-1 integrases as targets
Authors: Chen, IJ Neamati, N Nicklaus, MC Orr, A Anderson, L Barchi, JJ Kelley, JA Pommier, Y MacKerell, AD
Citation: Ij. Chen et al., Identification of HIV-1 integrase inhibitors via three-dimensional database searching using ASV and HIV-1 integrases as targets, BIO MED CH, 8(10), 2000, pp. 2385-2398
New insights into the structure of abasic DNA from molecular dynamics simulations
Authors: Barsky, D Foloppe, N Ahmadia, S Wilson, DM MacKerell, AD
Citation: D. Barsky et al., New insights into the structure of abasic DNA from molecular dynamics simulations, NUCL ACID R, 28(13), 2000, pp. 2613-2626
All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data
Authors: Foloppe, N MacKerell, AD
Citation: N. Foloppe et Ad. Mackerell, All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data, J COMPUT CH, 21(2), 2000, pp. 86-104
All-atom empirical force field for nucleic acids: II. Application to molecular dynamics simulations of DNA and RNA in solution
Authors: MacKerell, AD Banavali, NK
Citation: Ad. Mackerell et Nk. Banavali, All-atom empirical force field for nucleic acids: II. Application to molecular dynamics simulations of DNA and RNA in solution, J COMPUT CH, 21(2), 2000, pp. 105-120
Binary combination and overtone modes in the C-H stretch region in ethoxy adsorbed on Cu(100): Experimental and calculated vibrational spectra
Authors: Asmundsson, R Uvdal, P MacKerell, AD
Citation: R. Asmundsson et al., Binary combination and overtone modes in the C-H stretch region in ethoxy adsorbed on Cu(100): Experimental and calculated vibrational spectra, J CHEM PHYS, 113(3), 2000, pp. 1258-1267
Use of oligodeoxyribonucleotides with conformationally constrained abasic sugar targets to probe the mechanism of base flipping by HhaI DNA (cytosineC5)-methyltransferase
Authors: Wang, PY Brank, AS Banavali, NK Nicklaus, MC Marquez, VE Christman, JK MacKerell, AD
Citation: Py. Wang et al., Use of oligodeoxyribonucleotides with conformationally constrained abasic sugar targets to probe the mechanism of base flipping by HhaI DNA (cytosineC5)-methyltransferase, J AM CHEM S, 122(50), 2000, pp. 12422-12434
Contribution of the phosphodiester backbone and glycosyl linkage intrinsictorsional energetics to DNA structure and dynamics
Authors: Foloppe, N MacKerell, AD
Citation: N. Foloppe et Ad. Mackerell, Contribution of the phosphodiester backbone and glycosyl linkage intrinsictorsional energetics to DNA structure and dynamics, J PHYS CH B, 103(49), 1999, pp. 10955-10964
TIT for TAT: The properties of inosine and adenosine in TATA box DNA
Authors: Pastor, N MacKerell, AD Weinstein, H
Citation: N. Pastor et al., TIT for TAT: The properties of inosine and adenosine in TATA box DNA, J BIO STRUC, 16(4), 1999, pp. 787-810
Structure, force, and energy of a double-stranded DNA oligonucleotide under tensile loads
Authors: MacKerell, AD Lee, GU
Citation: Ad. Mackerell et Gu. Lee, Structure, force, and energy of a double-stranded DNA oligonucleotide under tensile loads, EUR BIOPHYS, 28(5), 1999, pp. 415-426
Vibrational shifts induced by C-13 isotopic substitutions in a surface adsorbate determined by infrared spectroscopy and ab initio calculations
Authors: Uvdal, P Asmundsson, R MacKerell, AD
Citation: P. Uvdal et al., Vibrational shifts induced by C-13 isotopic substitutions in a surface adsorbate determined by infrared spectroscopy and ab initio calculations, PHYS REV L, 82(1), 1999, pp. 125-128
Intrinsic conformational properties of deoxyribonucleosides: Implicated role for cytosine in the equilibrium among the A, B, and Z forms of DNA
Authors: Foloppe, N MacKerell, AD
Citation: N. Foloppe et Ad. Mackerell, Intrinsic conformational properties of deoxyribonucleosides: Implicated role for cytosine in the equilibrium among the A, B, and Z forms of DNA, BIOPHYS J, 76(6), 1999, pp. 3206-3218
Risultati: 1-18 |