|All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins † |
AD MacKerell Jr, D Bashford, M Bellott, RL Dunbrack Jr, JD Evanseck, ...
The journal of physical chemistry B 102 (18), 3586-3616, 1998
|All-atom empirical potential for molecular modeling and dynamics studies of proteins|
AD MacKerrell, D Bashford, M Bellott, RL Dunbrack, JD Evanseck, ...
J. Phys. Chem. B 102, 3586-3616, 1998
|Zinc binding in proteins and solution: a simple but accurate nonbonded representation|
RH Stote, M Karplus
Proteins: Structure, Function, and Bioinformatics 23 (1), 12-31, 1995
|Self-consistent parameterization of biomolecules for molecular modeling and condensed phase simulations.|
FASEB J. 6, A143, 1992
|Structural basis for hijacking of cellular LxxLL motifs by papillomavirus E6 oncoproteins|
K Zanier, S Charbonnier, AOMO Sidi, AG McEwen, MG Ferrario, ...
Science 339 (6120), 694-698, 2013
|Allostery in its many disguises: from theory to applications|
SJ Wodak, E Paci, NV Dokholyan, IN Berezovsky, A Horovitz, J Li, ...
Structure 27 (4), 566-578, 2019
|NO rebinding to myoglobin: a reactive molecular dynamics study|
M Meuwly, OM Becker, R Stote, M Karplus
Biophysical chemistry 98 (1-2), 183-207, 2002
|States, DJ; Karplus, M|
J Chim Phys 88 (11-12), 2419-2433, 1991
|Protein–protein recognition and interaction hot spots in an antigen–antibody complex: free energy decomposition identifies “efficient amino acids”|
V Lafont, M Schaefer, RH Stote, D Altschuh, A Dejaegere
Proteins: Structure, Function, and Bioinformatics 67 (2), 418-434, 2007
|Calculation of the aqueous solvation energy and entropy, as well as free energy, of simple polar solutes|
S Wan, RH Stote, M Karplus
The Journal of chemical physics 121 (19), 9539-9548, 2004
|Oxidation of thymine to 5-formyluracil in DNA: mechanisms of formation, structural implications, and base excision by human cell free extracts|
S Bjelland, L Eide, RW Time, R Stote, I Eftedal, G Volden, E Seeberg
Biochemistry 34 (45), 14758-14764, 1995
|Critical role of desolvation in the binding of 20-hydroxyecdysone to the ecdysone receptor|
C Browning, E Martin, C Loch, JM Wurtz, D Moras, RH Stote, ...
Journal of Biological Chemistry 282 (45), 32924-32934, 2007
|Time correlation function approach to vibrational energy relaxation in liquids: Revised results for monatomic solvents and a comparison with the isolated binary collision model|
SA Adelman, R Muralidhar, RH Stote
The Journal of chemical physics 95 (4), 2738-2751, 1991
|Theory of vibrational energy relaxation in liquids: diatomic solutes in monatomic solvents|
RH Stote, SA Adelman
The Journal of chemical physics 88 (7), 4415-4420, 1988
|Theory of vibrational energy relaxation in liquids: Construction of the generalized Langevin equation for solute vibrational dynamics in monatomic solvents|
SA Adelman, RH Stote
The Journal of chemical physics 88 (7), 4397-4414, 1988
|Solution structure of PMP-D2, a 35-residue peptide isolated from the insect Locusta migratoria|
G Mer, C Kellenberger, P Koehl, R Stote, O Sorokine, A Van Dorsselaer, ...
Biochemistry 33 (51), 15397-15407, 1994
|The structural and dynamic response of MAGI-1 PDZ1 with noncanonical domain boundaries to the binding of human papillomavirus E6|
S Charbonnier, Y Nominé, J Ramírez, K Luck, A Chapelle, RH Stote, ...
Journal of molecular biology 406 (5), 745-763, 2011
|Structural insights into the molecular mechanism of vitamin D receptor activation by lithocholic acid involving a new mode of ligand recognition|
AY Belorusova, J Eberhardt, N Potier, RH Stote, A Dejaegere, N Rochel
Journal of medicinal chemistry 57 (11), 4710-4719, 2014
|On the affinity regulation of the metal-ion-dependent adhesion sites in integrins|
ES Sebastian, JM Mercero, RH Stote, A Dejaegere, FP Cossío, X Lopez
Journal of the American Chemical Society 128 (11), 3554-3563, 2006
|Increasing normal modes analysis accuracy: The SPASIBA spectroscopic force field introduced into the CHARMM program|
P Lagant, D Nolde, R Stote, G Vergoten, M Karplus
The Journal of Physical Chemistry A 108 (18), 4019-4029, 2004