| A suite of tutorials for the WESTPA rare-events sampling software [Article v1. 0] AT Bogetti, B Mostofian, A Dickson, AJ Pratt, AS Saglam, PO Harrison, ... Living journal of computational molecular science 1 (2), 2019 | 662 | 2019 |
| Sensitivity of pnicogen, chalcogen, halogen and H-bonds to angular distortions U Adhikari, S Scheiner Chemical Physics Letters 532, 31-35, 2012 | 189 | 2012 |
| Effects of charge and substituent on the S··· N chalcogen bond U Adhikari, S Scheiner The Journal of Physical Chemistry A 118 (17), 3183-3192, 2014 | 159 | 2014 |
| Substituent effects on Cl··· N, S··· N, and P··· N noncovalent bonds U Adhikari, S Scheiner The Journal of Physical Chemistry A 116 (13), 3487-3497, 2012 | 138 | 2012 |
| Conservation and functional importance of carbon–oxygen hydrogen bonding in AdoMet-dependent methyltransferases S Horowitz, LMA Dirk, JD Yesselman, JS Nimtz, U Adhikari, RA Mehl, ... Journal of the American Chemical Society 135 (41), 15536-15548, 2013 | 116 | 2013 |
| Abilities of different electron donors (D) to engage in a P··· D noncovalent interaction S Scheiner, U Adhikari The Journal of Physical Chemistry A 115 (40), 11101-11110, 2011 | 111 | 2011 |
| Comparison of P⋯ D (D= P, N) with other noncovalent bonds in molecular aggregates U Adhikari, S Scheiner The Journal of chemical physics 135 (18), 184306, 2011 | 91 | 2011 |
| Mechanism of membrane poration by shock wave induced nanobubble collapse: A molecular dynamics study U Adhikari, A Goliaei, ML Berkowitz The Journal of Physical Chemistry B 119 (20), 6225-6234, 2015 | 90 | 2015 |
| Effects of carbon chain substituents on the P⋯ N noncovalent bond U Adhikari, S Scheiner Chemical Physics Letters 536, 30-33, 2012 | 77 | 2012 |
| Magnitude and mechanism of charge enhancement of CH·· O hydrogen bonds U Adhikari, S Scheiner The Journal of Physical Chemistry A 117 (40), 10551-10562, 2013 | 68 | 2013 |
| Properties of poloxamer molecules and poloxamer micelles dissolved in water and next to lipid bilayers: results from computer simulations U Adhikari, A Goliaei, L Tsereteli, ML Berkowitz The Journal of Physical Chemistry B 120 (26), 5823-5830, 2016 | 65 | 2016 |
| Computational estimation of microsecond to second atomistic folding times U Adhikari, B Mostofian, J Copperman, SR Subramanian, AA Petersen, ... Journal of the American Chemical Society 141 (16), 6519-6526, 2019 | 55 | 2019 |
| Nanobubbles, cavitation, shock waves and traumatic brain injury U Adhikari, A Goliaei, ML Berkowitz Physical Chemistry Chemical Physics 18 (48), 32638-32652, 2016 | 52 | 2016 |
| Opening of the blood-brain barrier tight junction due to shock wave induced bubble collapse: a molecular dynamics simulation study A Goliaei, U Adhikari, ML Berkowitz ACS chemical neuroscience 6 (8), 1296-1301, 2015 | 52 | 2015 |
| The S⋯ N noncovalent interaction: Comparison with hydrogen and halogen bonds U Adhikari, S Scheiner Chemical Physics Letters 514 (1-3), 36-39, 2011 | 46 | 2011 |
| Theoretical study on relationship between structure of mercapto-triazole derivatives and inhibition performance S Chen, S Scheiner, T Kar, U Adhikari Int. J. Electrochem. Sci 7, 7128-7139, 2012 | 36 | 2012 |
| Preferred configurations of peptide–peptide interactions U Adhikari, S Scheiner The Journal of Physical Chemistry A 117 (2), 489-496, 2013 | 35 | 2013 |
| Manipulating unconventional CH-based hydrogen bonding in a methyltransferase via noncanonical amino acid mutagenesis S Horowitz, U Adhikari, LMA Dirk, PA Del Rizzo, RA Mehl, RL Houtz, ... ACS chemical biology 9 (8), 1692-1697, 2014 | 27 | 2014 |
| Site preferences of carboyxl groups on the periphery of graphene and their characteristic IR spectra T Kar, S Scheiner, U Adhikari, AK Roy The Journal of Physical Chemistry C 117 (35), 18206-18215, 2013 | 20 | 2013 |
| Behavior of P85 and P188 poloxamer molecules: computer simulations using united-atom force-field A Goliaei, EY Lau, U Adhikari, E Schwegler, ML Berkowitz The Journal of Physical Chemistry B 120 (33), 8631-8641, 2016 | 19 | 2016 |
