Lennart Nilsson - researchr alias

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Viewing Publication 1 - 11 from 11

2018

Modeling pK Shift in DNA Triplexes Containing Locked Nucleic AcidsYossa Dwi Hartono, You Xu, Andrey Karshikoff, Lennart Nilsson, Alessandra Villa. jcisd, 58(4):773-783, 2018. [doi]

2017

The free energy of locking a ring: Changing a deoxyribonucleoside to a locked nucleic acidYou Xu, Alessandra Villa, Lennart Nilsson. jcc, 38(15):1147-1157, 2017. [doi]

2016

Additive CHARMM force field for naturally occurring modified ribonucleotidesYou Xu, Kenno Vanommeslaeghe, Alexey Aleksandrov, Alexander D. MacKerell Jr., Lennart Nilsson. jcc, 37(10):896-912, 2016. [doi]

2014

Conformational Preferences of Modified Uridines: Comparison of AMBER Derived Force FieldsIndrajit Deb, Joanna Sarzynska, Lennart Nilsson, Ansuman Lahiri. jcisd, 54(4):1129-1142, 2014. [doi]

2011

Impact of 2′-hydroxyl sampling on the conformational properties of RNA: Update of the CHARMM all-atom additive force field for RNAElizabeth J. Denning, U. Deva Priyakumar, Lennart Nilsson, Alexander D. MacKerell Jr.. jcc, 32(9):1929-1943, 2011. [doi]

2009

Efficient table lookup without inverse square roots for calculation of pair wise atomic interactions in classical simulationsLennart Nilsson. jcc, 30(9):1490-1498, 2009. [doi]

How Thioredoxin Dissociates Its Mixed DisulfideGoedele Roos, Nicolas Foloppe, Koen Van Laer, Lode Wyns, Lennart Nilsson, Paul Geerlings, Joris Messens. ploscb, 5(8), 2009. [doi]

2006

A Highly Efficient ::::Ab Initio:::: Tight-Binding-Like Approximate Density-Functional Quantum Mechanical MethodYaoquan Tu, Lennart Nilsson, Aatto Laaksonen. para 2007: 100-108 [doi]

2003

Improved precision and efficiency of free energy calculations for small systems using lambda-scaled atomic masses and separating conformational and transformational samplingPeter Carlsson, Lennart Nilsson. jcc, 24(12):1383-1389, 2003. [doi]

2002

Structure and dynamics of liquid water with different long-range interaction truncation and temperature control methods in molecular dynamics simulationsPekka Mark, Lennart Nilsson. jcc, 23(13):1211-1219, 2002. [doi]

1999

Some practical aspects of free energy calculations from molecular dynamics simulationSrikanta Sen, Lennart Nilsson. jcc, 20(8):877-885, 1999. [doi]

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