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 | 15589 | 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 | 426 | 1995 |
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 (18), 3586-3616, 1998 | 325 | 1998 |
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 | 314 | 2019 |
Self-consistent parameterization of biomolecules for molecular modeling and condensed phase simulations. AD MacKerell FASEB J. 6, A143, 1992 | 257 | 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 | 217 | 2013 |
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 | 123 | 2002 |
States, DJ; Karplus, M RH Stote J Chim Phys 88 (11-12), 2419-2433, 1991 | 113 | 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 | 110 | 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 | 101 | 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 | 92 | 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 | 87 | 2007 |
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 | 67 | 2004 |
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 | 65 | 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 | 64 | 1988 |
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 | 62 | 2011 |
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 | 61 | 1994 |
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 | 61 | 1988 |
Recurrent activating mutations of PPARγ associated with luminal bladder tumors N Rochel, C Krucker, L Coutos-Thévenot, J Osz, R Zhang, E Guyon, ... Nature communications 10 (1), 253, 2019 | 60 | 2019 |
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 | 50 | 2014 |