scholarly journals AN OPTIMIZED PROTOCOL FOR IN VACUO MOLECULAR DYNAMICS SIMULATION AND TRAJECTORY ANALYSIS OF MODIFIED DNA DUPLEXES

1996 ◽  
Vol 2 (1) ◽  
pp. 7-16
Author(s):  
Ryszard W. Adamiak ◽  
Lukasz Bielecki
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Trajectory Analysis ◽  
Dynamics Simulation ◽  
Dna Duplexes ◽  
Optimized Protocol ◽  
Modified Dna

scholarly journals 139 Analysis of structure and thermodynamics of modified DNA duplexes using molecular dynamics simulation

2015 ◽  
Vol 33 (sup1) ◽  
pp. 90-91 ◽  
Author(s):  
Alexander A. Lomzov ◽  
Vitaly V. Gorelov ◽  
Victor M. Golyshev ◽  
Tatiana V. Abramova ◽  
Dmitrii V. Pyshnyi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Dna Duplexes ◽  
Modified Dna

Conformational and energetic properties of pyrrolidinyl PNA-DNA duplexes: A molecular dynamics simulation

2017 ◽  
Vol 1122 ◽  
pp. 27-33 ◽  
Author(s):  
Nattawee Poomsuk ◽  
Tawun Remsungnen ◽  
Tirayut Vilaivan ◽  
Andrew J. Hunt ◽  
Khatcharin Siriwong
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Dna Duplexes ◽  
Energetic Properties

Can modified DNA base pairs with chalcogen bonding expand the genetic alphabet? A combined quantum chemical and molecular dynamics simulation study

2020 ◽  
Vol 22 (41) ◽  
pp. 23754-23765
Author(s):  
Karan Deep Sharma ◽  
Preetleen Kathuria ◽  
Stacey D. Wetmore ◽  
Purshotam Sharma
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Hydrogen Bonds ◽  
Quantum Chemical ◽  
Computational Study ◽  
Dynamics Simulation ◽  
Base Pairs ◽  
Dna Base ◽  
Modified Dna ◽  
Dna Base Pairs

A comprehesive computational study is presented with the goal to design and analyze model chalcogen-bonded modified nucleobase pairs that replace one or two Watson–Crick hydrogen bonds of the canonical A:T or G:C pair with chalcogen bond(s).

Hole-transfer Mechanism in Hydrated DNA Duplexes: Direct Ab Initio Molecular Dynamics Simulation

2019 ◽  
Vol 16 (24) ◽  
pp. 53-64
Author(s):  
Hajime Wakabayashi ◽  
Yasuyuki Ishikawa ◽  
Takayuki Tsukamoto ◽  
Noriyuki Kurita
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Transfer Mechanism ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Dna Duplexes ◽  
Hole Transfer
Sign in / Sign up

Export Citation Format

Share Document