Empirical force fields for biologically active divalent metal cations in water CS Babu, C Lim The Journal of Physical Chemistry A 110 (2), 691-699, 2006 | 174 | 2006 |
Theory of ionic hydration: Insights from molecular dynamics simulations and experiment CS Babu, C Lim The Journal of Physical Chemistry B 103 (37), 7958-7968, 1999 | 172 | 1999 |
A Combined Experimental and Theoretical Study of Divalent Metal Ion Selectivity and Function in Proteins: Application to E. coli Ribonuclease H1 CS Babu, T Dudev, R Casareno, JA Cowan, C Lim Journal of the American Chemical Society 125 (31), 9318-9328, 2003 | 74 | 2003 |
Apparent local dielectric response around ions in water: a method for its determination and its applications JK Hyun, CS Babu, T Ichiye The Journal of Physical Chemistry 99 (14), 5187-5195, 1995 | 60 | 1995 |
A new interpretation of the effective Born radius from simulation and experiment CS Babu, C Lim Chemical physics letters 310 (1-2), 225-228, 1999 | 45 | 1999 |
Structural basis for the magnesium-dependent activation and hexamerization of the Lon AAA+ protease SC Su, CC Lin, HC Tai, MY Chang, MR Ho, CS Babu, JH Liao, SH Wu, ... Structure 24 (5), 676-686, 2016 | 35 | 2016 |
Solvation free energies of polar molecular solutes: Application of the two-sphere Born radius in continuum models of solvation CS Babu, C Lim The Journal of Chemical Physics 114 (2), 889-898, 2001 | 27 | 2001 |
Differential Role of the Protein Matrix on the Binding of a Catalytic Aspartate to Mg2+ vs Ca2+: Application to Ribonuclease H CS Babu, T Dudev, C Lim Journal of the American Chemical Society 135 (17), 6541-6548, 2013 | 24 | 2013 |
On the charge and molecule based summations of solvent electrostatic potentials and the validity of electrostatic linear response in water C Satheesan Babu, PK Yang, C Lim Journal of Biological Physics 28, 95-113, 2002 | 20 | 2002 |
Orientations of [Fe(H2O)6]2+ and [Fe(H2O)6]3+ Complexes at a Reactive Separation in Water CS Babu, M Madhusoodanan, G Sridhar, BL Tembe Journal of the American Chemical Society 119 (24), 5679-5681, 1997 | 17 | 1997 |
Conserved structural motif for recognizing nicotinamide adenine dinucleotide in poly (ADP-ribose) polymerases and ADP-ribosylating toxins: implications for structure-based drug … YM Lee, CS Babu, YC Chen, M Milcic, Y Qu, C Lim Journal of medicinal chemistry 53 (10), 4038-4049, 2010 | 16 | 2010 |
Incorporating nonlinear solvent response in continuum dielectric models using a two-sphere description of the Born radius CS Babu, C Lim The Journal of Physical Chemistry A 105 (20), 5030-5036, 2001 | 16 | 2001 |
Protein/Solvent Medium Effects on Mg2+−Carboxylate Interactions in Metalloenzymes CS Babu, C Lim Journal of the American Chemical Society 132 (18), 6290-6291, 2010 | 15 | 2010 |
New integral equation theory for primitive model ionic liquids: From electrolytes to molten salts CS Babu, T Ichiye The Journal of chemical physics 100 (12), 9147-9155, 1994 | 15 | 1994 |
Modeling Zn2+ Release From Metallothionein CS Babu, YM Lee, T Dudev, C Lim The Journal of Physical Chemistry A 118 (39), 9244-9252, 2014 | 14 | 2014 |
The Zinc Linchpin Motif in the DNA Repair Glycosylase MUTYH: Identifying the Zn2+ Ligands and Roles in Damage Recognition and Repair NN Nuñez, C Khuu, CS Babu, SJ Bertolani, AN Rajavel, JE Spear, ... Journal of the American Chemical Society 140 (41), 13260-13271, 2018 | 10 | 2018 |
Dynamics in superionic lithium sulphate lattice: paddle wheel versus percolation mechanism CS Babu, BL Tembe Chemical physics letters 194 (4-6), 351-354, 1992 | 10 | 1992 |
Efficient Binding of Flexible and Redox-Active Coenzymes by Oxidoreductases CS Babu, C Lim ACS Catalysis 6 (6), 3469-3472, 2016 | 9 | 2016 |
The role of solvent models in stabilizing nonclassical ions CS Babu, BL Tembe Journal of Chemical Sciences 98, 235-240, 1987 | 7 | 1987 |
Sensitivity of Functional Loop Conformations on Long-Range Electrostatics: Implications for M20 Loop Dynamics in E. coli Dihydrofolate Reductase CS Babu, C Lim Journal of Chemical Theory and Computation 16 (4), 2028-2033, 2020 | 3 | 2020 |