| Cationic spacer arm design strategy for control of antimicrobial activity and conformation of amphiphilic methacrylate random copolymers EF Palermo, S Vemparala, K Kuroda Biomacromolecules 13 (5), 1632-1641, 2012 | 191 | 2012 |
| Synthetic mimics of antimicrobial peptides A Som, S Vemparala, I Ivanov, GN Tew Peptide Science 90 (2), 83-93, 2008 | 183 | 2008 |
| Molecular dynamics calculations suggest a conduction mechanism for the M2 proton channel from influenza A virus E Khurana, MD Peraro, R DeVane, S Vemparala, WF DeGrado, ML Klein Proceedings of the National Academy of Sciences 106 (4), 1069-1074, 2009 | 137 | 2009 |
| Synthetic random copolymers as a molecular platform to mimic host-defense antimicrobial peptides H Takahashi, G Caputo, S Vemparala, K Kuroda Bioconjugate Chemistry 38 (5), 1340–1350, 2017 | 119 | 2017 |
| Characterization of nonbiological antimicrobial polymers in aqueous solution and at water− lipid interfaces from all-atom molecular dynamics I Ivanov, S Vemparala, V Pophristic, K Kuroda, WF DeGrado, ... Journal of the American Chemical Society 128 (6), 1778-1779, 2006 | 103 | 2006 |
| The design and evaluation of heparin-binding foldamers S Choi, DJ Clements, V Pophristic, I Ivanov, S Vemparala, JS Bennett, ... Angewandte Chemie-International Edition 44 (41), 6685-6688, 2005 | 93 | 2005 |
| Large-scale molecular dynamics simulations of alkanethiol self-assembled monolayers S Vemparala, BB Karki, RK Kalia, A Nakano, P Vashishta The Journal of chemical physics 121 (9), 4323-4330, 2004 | 86 | 2004 |
| Partitioning of anesthetics into a lipid bilayer and their interaction with membrane-bound peptide bundles S Vemparala, L Saiz, RG Eckenhoff, ML Klein Biophysical journal 91 (8), 2815-2825, 2006 | 85 | 2006 |
| Scalable and portable implementation of the fast multipole method on parallel computers S Ogata, TJ Campbell, RK Kalia, A Nakano, P Vashishta, S Vemparala Computer Physics Communications 153 (3), 445-461, 2003 | 77 | 2003 |
| Isosteric substitution in cationic-amphiphilic polymers reveals an important role for hydrogen bonding in bacterial membrane interactions D Uppu, MM Konai, U Baul, P Singh, TK Siersma, S Samaddar, ... Chemical science 7 (7), 4613-4623, 2016 | 64 | 2016 |
| Controlling the shape and flexibility of arylamides: a combined ab initio, ab initio molecular dynamics, and classical molecular dynamics study V Pophristic, S Vemparala, I Ivanov, Z Liu, ML Klein, WF DeGrado The Journal of Physical Chemistry B 110 (8), 3517-3526, 2006 | 49 | 2006 |
| The role of conformation in ion permeation in a K+ channel C Domene, S Vemparala, S Furini, K Sharp, ML Klein Journal of the American Chemical Society 130 (11), 3389-3398, 2008 | 47 | 2008 |
| Interaction of multiple biomimetic antimicrobial polymers with model bacterial membranes U Baul, K Kuroda, S Vemparala The Journal of chemical physics 141 (8), 2014 | 46 | 2014 |
| Role of aromatic localization in the gating process of a potassium channel C Domene, S Vemparala, ML Klein, C Vénien-Bryan, DA Doyle Biophysical journal 90 (1), L01-L03, 2006 | 46 | 2006 |
| Mechanism of chain collapse of strongly charged polyelectrolytes AM Tom, S Vemparala, R Rajesh, NV Brilliantov Physical Review Letters 117, 147801, 2016 | 43 | 2016 |
| Computational studies on the interactions of inhalational anesthetics with proteins S Vemparala, C Domene, ML Klein Accounts of chemical research 43 (1), 103-110, 2010 | 41 | 2010 |
| Atomistic simulations of a multicomponent asymmetric lipid bilayer A Polley, S Vemparala, M Rao The Journal of Physical Chemistry B 116 (45), 13403-13410, 2012 | 40 | 2012 |
| Aggregation of rod-like polyelectrolyte chains in the presence of monovalent counterions A Varghese, R Rajesh, S Vemparala The Journal of chemical physics 137 (23), 2012 | 35 | 2012 |
| Interaction of anesthetics with open and closed conformations of a potassium channel studied via molecular dynamics and normal mode analysis S Vemparala, C Domene, ML Klein Biophysical journal 94 (11), 4260-4269, 2008 | 30 | 2008 |
| Role of loop dynamics in thermal stability of mesophilic and thermophilic adenylosuccinate synthetase: a molecular dynamics and normal mode analysis study S Vemparala, S Mehrotra, H Balaram Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1814 (5), 630-637, 2011 | 29 | 2011 |
