You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Copy file name to clipboardExpand all lines: paper/basic_training.bib
+25-22Lines changed: 25 additions & 22 deletions
Original file line number
Diff line number
Diff line change
@@ -174,18 +174,21 @@ @article{amber15FB
174
174
}
175
175
176
176
@article{mackerell2004CMAP,
177
-
author = {Mackerell Alexander D. and Feig Michael and Brooks Charles L.},
178
-
title = {Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations},
author = {{Mackerell, Jr.}, Alexander D. and Feig, Michael and {Brooks, III}, Charles L.},
184
178
doi = {10.1002/jcc.20065},
179
+
journal = {J. Comput. Chem.},
180
+
keywords = {ab initio,cmap,dihedral angles,empirical force field,molecular dynamics,molecular mechanics},
181
+
number = {11},
182
+
pages = {1400--1415},
183
+
title = {{Extending the treatment of backbone energetics in protein force fields: Limitations of gas‐phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations}},
title = {An {{Empirical Polarizable Force Field Based}} on the {{Classical Drude Oscillator Model}}: {{Development History}} and {{Recent Applications}}},
454
457
volume = {116},
455
458
issn = {0009-2665},
456
459
shorttitle = {An {{Empirical Polarizable Force Field Based}} on the {{Classical Drude Oscillator Model}}},
457
460
doi = {10.1021/acs.chemrev.5b00505},
458
461
number = {9},
459
462
journal = {Chem. Rev.},
460
-
author = {Lemkul, Justin A. and Huang, Jing and Roux, Beno\^it and MacKerell, Alexander D.},
463
+
author = {Lemkul, Justin A. and Huang, Jing and Roux, Beno\^it and {Mackerell, Jr.}, Alexander D.},
461
464
month = may,
462
465
year = {2016},
463
466
pages = {4983-5013},
464
467
}
465
468
466
-
@article{York:1993:J.Chem.Phys.,
469
+
@article{York:1993:JChemPhys,
467
470
title = {The Effect of Long-range Electrostatic Interactions in Simulations of Macromolecular Crystals: {{A}} Comparison of the {{Ewald}} and Truncated List Methods},
0 commit comments