Concepedia

Mining of a novel esterase (est3S) gene from a cow rumen metagenomic library with organosphosphorus insecticides degrading capability: Catalytic insights by site directed mutations, docking, and molecular dynamic simulations

Hee Yul Lee, Du Yong Cho, Iqrar Ahmad, Harun Patel, Min Ju Kim, Jea Gack Jung, Eun Hye Jeong, Md. Azizul Haque, Kye Man Cho

International Journal of Biological Macromolecules · 2021 · 44 citations · 43 references

DOI

Concepts

References

43

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15.3K citations

, , +17

I-TASSER: a unified platform for automated protein structure and function prediction

Ambrish Roy, Alper Küçükural, Yang Zhang · Nature Protocols · 2010 · 6.3K citations · Full text

, , +10

Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K

Pekka Mark, Lennart Nilsson · The Journal of Physical Chemistry A · 2001 · 4.5K citations

, , +15

The Nose–Hoover thermostat

D.J. Evans, Brad Lee Holian · The Journal of Chemical Physics · 1985 · 3.5K citations

, , +12

Molecular biological access to the chemistry of unknown soil microbes: a new frontier for natural products

Jo Handelsman, Michelle R. Rondon, Sean F. Brady et al. · Chemistry & Biology · 1998 · 2K citations · Full text

, , +17