You Xu

发表

LNA effects on DNA binding and conformation: from single strand to duplex and triplex structures

L. Nilsson, Y. V. Pabón-Martínez, You Xu, 2017, Scientific Reports.

Molecular modeling and thermodynamics simulation of nucleic acids

You Xu, 2016 .

Structural effects of modified ribonucleotides and magnesium in transfer RNAs.

L. Nilsson, A. MacKerell, You Xu, 2016, Bioorganic & medicinal chemistry.

On the Transferability of CHARMM36m Protein Force Field with LJ-PME: Hydrogen Bonding Dynamics under Elevated Pressures

Jing Huang, You Xu, 2021 .

Additive CHARMM force field for naturally occurring modified ribonucleotides

Alexander D. MacKerell, You Xu, Lennart Nilsson, 2016, J. Comput. Chem..

Structural Achievability of an NH–π Interaction between Gln and Phe in a Crystal Structure of a Collagen-like Peptide

Jing Huang, You Xu, J. Lan, 2022, Biomolecules.

The ability of locked nucleic acid oligonucleotides to pre-structure the double helix: A molecular simulation and binding study

L. Nilsson, You Xu, A. Villa, 2019, PloS one.

Helical Repeats of Left-Handed DNA

You Xu, 2014 .

Predicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fields

Jian Zhu, Jing Huang, Cheng Qian, 2020, Journal of Computer-Aided Molecular Design.

Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima

A. Jolma, E. Morgunova, J. Taipale, 2017, bioRxiv.

The free energy of locking a ring: Changing a deoxyribonucleoside to a locked nucleic acid

You Xu, Lennart Nilsson, Alessandra Villa, 2017, J. Comput. Chem..

The ability of locked nucleic acid oligonucleotides to pre-structure the double helix: A molecular simulation and binding study

L. Nilsson, You Xu, A. Villa, 2019, PloS one.

Modeling pK Shift in DNA Triplexes Containing Locked Nucleic Acids

Lennart Nilsson, Alessandra Villa, Yossa Dwi Hartono, 2018, J. Chem. Inf. Model..