U. Adhikari

发表

Computational estimation of ms-sec atomistic folding times

D. Zuckerman, U. Adhikari, Barmak Mostofian, 2018, bioRxiv.

Quantum Mechanical Study of Weak Molecular Interactions

U. Adhikari, 2014 .

The Magnitude and Mechanism of Charge Enhancement of CH · · O H-bonds

S. Scheiner, U. Adhikari, 2014 .

Conservation and functional importance of carbon-oxygen hydrogen bonding in AdoMet-dependent methyltransferases.

H. Al‐Hashimi, R. Mehl, S. Scheiner, 2013, Journal of the American Chemical Society.

Competition between lone pair–π, halogen bond, and hydrogen bond in adducts of water with perhalogenated alkenes C2ClnF4−n (n = 0–4)

S. Scheiner, U. Adhikari, 2014 .

Effects of charge and substituent on the S···N chalcogen bond.

S. Scheiner, U. Adhikari, 2014, The journal of physical chemistry. A.

Comparison of P···D (D = P,N) with other noncovalent bonds in molecular aggregates.

S. Scheiner, U. Adhikari, 2011, The Journal of chemical physics.

Contributions of various noncovalent bonds to the interaction between an amide and S-containing molecules.

S. Scheiner, U. Adhikari, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

The Direct Oxidizing Mechanism for the Reaction of Ozone and Phenol: A DFT Study

U. Adhikari, J. Zhu, Bai He, 2012 .

Hyperfine structure and isotope shift measurements on spin-forbidden transitions of atomic gadolinium

U. Adhikari, C. Simien, Kevin D. Battles, 2019, OSA Continuum.

The S⋯N noncovalent interaction: Comparison with hydrogen and halogen bonds

S. Scheiner, U. Adhikari, 2011 .

First steps in growth of a polypeptide toward β-sheet structure.

S. Scheiner, U. Adhikari, 2013, The journal of physical chemistry. B.

Properties of Poloxamer Molecules and Poloxamer Micelles Dissolved in Water and Next to Lipid Bilayers: Results from Computer Simulations.

M. Berkowitz, U. Adhikari, Ardeshir Goliaei, 2016, The journal of physical chemistry. B.

This article is based on the dissertation submitted to: School of Development and Social Engineering, Faculty of Humanities and Social Sciences, Pokhara University. For the Partial fulfillment of the requirement for the Degree of Masters in Population, Gender and Development.

U. Adhikari, R. Pandey, 2011 .

Theoretical study on relationship between structure of mercapto-triazole derivatives and inhibition performance

S. Scheiner, T. Kar, U. Adhikari, 2012 .

Magnitude and mechanism of charge enhancement of CH··O hydrogen bonds.

S. Scheiner, U. Adhikari, 2013, The journal of physical chemistry. A.

Preferred configurations of peptide-peptide interactions.

S. Scheiner, U. Adhikari, 2013, The journal of physical chemistry. A.

Behavior of P85 and P188 Poloxamer Molecules: Computer Simulations Using United-Atom Force-Field.

M. Berkowitz, E. Schwegler, E. Lau, 2016, The journal of physical chemistry. B.

Computational Estimation of Microsecond to Second Atomistic Folding Times.

D. Zuckerman, U. Adhikari, Barmak Mostofian, 2019, Journal of the American Chemical Society.

Opening of the blood-brain barrier tight junction due to shock wave induced bubble collapse: a molecular dynamics simulation study.

M. Berkowitz, U. Adhikari, Ardeshir Goliaei, 2015, ACS Chemical Neuroscience.

Mechanism of membrane poration by shock wave induced nanobubble collapse: a molecular dynamics study.

M. Berkowitz, U. Adhikari, Ardeshir Goliaei, 2015, The journal of physical chemistry. B.

Do phenolic and carboxylic groups coexist at the tips of oxidized single-wall carbon nanotubes (o-SWNTs)?

A. Roy, S. Scheiner, T. Kar, 2014 .

Sensitivity of Pnicogen, Chalcogen, Halogen and H-Bonds to Angular Distortions

Steve Scheiner, Upendra Adhikari, S. Scheiner, 2012 .

Substituent effects on CL···N, S···N, and P···N noncovalent bonds.

Steve Scheiner, Upendra Adhikari, S. Scheiner, 2012, The journal of physical chemistry. A.

Abilities of different electron donors (D) to engage in a P···D noncovalent interaction.

Steve Scheiner, Upendra Adhikari, S. Scheiner, 2011, The journal of physical chemistry. A.

A Suite of Tutorials for the WESTPA Rare-Events Sampling Software [Article v1.0].

Daniel M. Zuckerman, Alex Dickson, Alex J. DeGrave, 2019, Living journal of computational molecular science.

Nanobubbles, cavitation, shock waves and traumatic brain injury.

Upendra Adhikari, M. Berkowitz, U. Adhikari, 2016, Physical chemistry chemical physics : PCCP.

Solvation Enhances the Distinction between Carboxylated Armchair and Zigzag Single-Wall Carbon Nanotubes (SWNT-COOH)

A. Roy, S. Scheiner, T. Kar, 2017 .

Manipulating unconventional CH-based hydrogen bonding in a methyltransferase via noncanonical amino acid mutagenesis.

H. Al‐Hashimi, R. Mehl, S. Scheiner, 2014, ACS chemical biology.

Site Preferences of Carboxyl Groups on the Periphery of Graphene and their Characteristic IR Spectra

A. Roy, S. Scheiner, T. Kar, 2013 .

Effects of carbon chain substituents on the P⋯N noncovalent bond

Steve Scheiner, Upendra Adhikari, S. Scheiner, 2012 .

Preferred configurations of peptide-peptide interactions.

S. Scheiner, U. Adhikari, 2013, The journal of physical chemistry. A.