E-LIB Suche - Ergebnisse für: MacKerell Jr., A. D.

1

CHARMM additive and polarizable force fields for biophysics..:

Vanommeslaeghe, K. ; MacKerell Jr., A.D.
Biochimica et Biophysica Acta (BBA) - General Subjects. 1850 (2015) 5 - p. 861-871 , 2015

Link: https://doi.org/10.1016/..

2

Automation of the CHARMM General Force Field (CGenFF) I: Bo..:

Vanommeslaeghe, K. ; MacKerell Jr., A. D.
Journal of Chemical Information and Modeling. 52 (2012) 12 - p. 3144-3154 , 2012

Link: https://doi.org/10.1021/..

3

Automation of the CHARMM General Force Field (CGenFF) II: A..:

Vanommeslaeghe, K. ; Raman, E. Prabhu ; MacKerell Jr., A. D.
Journal of Chemical Information and Modeling. 52 (2012) 12 - p. 3155-3168 , 2012

Link: https://doi.org/10.1021/..

4

Development of the CHARMM Force Field for Lipids:

Pastor, R. W. ; MacKerell Jr., A. D.
The Journal of Physical Chemistry Letters. 2 (2011) 13 - p. 1526-1532 , 2011

Link: https://doi.org/10.1021/..

5

Targeting of an Interrupted Polypurine:Polypyrimidine Seque..:

Semenyuk, A. ; Darian, E. ; Liu, J....
Biochemistry. 49 (2010) 36 - p. 7867-7878 , 2010

Link: https://doi.org/10.1021/..

6

CHARMM general force field: A force field for drug‐like mol..:

Vanommeslaeghe, K. ; Hatcher, E. ; Acharya, C....
Journal of Computational Chemistry. 31 (2009) 4 - p. 671-690 , 2009

Link: https://doi.org/10.1002/..

7

CHARMM: The biomolecular simulation program:

Brooks, B. R. ; Brooks III, C. L. ; Mackerell Jr., A. D....
Journal of Computational Chemistry. 30 (2009) 10 - p. 1545-1614 , 2009

Link: https://doi.org/10.1002/..

8

Binary combination and overtone modes in the C–H stretch re..:

Ásmundsson, R. ; Uvdal, P. ; MacKerell Jr., A. D.
The Journal of Chemical Physics. 113 (2000) 3 - p. 1258-1267 , 2000

Link: https://doi.org/10.1063/..

9

Structure, force, and energy of a double-stranded DNA oligo..:

MacKerell Jr., A. D. ; Lee, Gil U.
European Biophysics Journal. 28 (1999) 5 - p. 415-426 , 1999

Link: https://doi.org/10.1007/..

10

All-Atom Empirical Potential for Molecular Modeling and Dyn..:

MacKerell Jr., A. D. ; Bashford, D. ; Bellott, M....
The Journal of Physical Chemistry B. 102 (1998) 18 - p. 3586-3616 , 1998

Link: https://doi.org/10.1021/..

11

Vibrational spectrum of methoxy adsorbed on metal surfaces:..:

Uvdal, P. ; MacKerell Jr., A.D.
Surface Science. 393 (1997) 1-3 - p. 141-149 , 1997

Link: https://doi.org/10.1016/..

12

pH Dependence of binding reactions from free energy simulat..:

MacKerell Jr, A.D. ; Sommer, M.S. ; Karplus, M.
Journal of Molecular Biology. 247 (1995) 4 - p. 774-807 , 1995

Link: https://doi.org/10.1016/..

13

Intramolecular vibrational coupling of adsorbates probed us..:

Uvdal, P. ; MacKerell Jr., A.D. ; Wiegand, B.C.
Journal of Electron Spectroscopy and Related Phenomena. 64-65 (1993) - p. 193-199 , 1993

Link: https://doi.org/10.1016/..

14

Molecular dynamics simulations of ribonuclease T1: Effect o..:

MacKerell Jr., A. D. ; Rigler, R. ; Nilsson, L...
European Biophysics Journal. 16 (1988) 5 - p. 287-297 , 1988

Link: https://doi.org/10.1007/..

15

Update of the CHARMM36 force field for anionic lipids:

Pane, Anthony J. ; Nan, Yiling ; Venable, Richard M....
Biophysical Journal. 123 (2024) 3 - p. 424a , 2024

Link: https://doi.org/10.1016/..