
Gould, Ian
Reader
所属大学: Imperial College London
所属学院: Department of Chemistry
研究领域
Chemical Biology
His main interests are in the development and application of computer simulation methods to probe the relationship between structure and function in biological systems. He is one of the lead authors of the AMBER 95 force field and is continuing to develop both the force field and combined quantum mechanical/molecular mechanical methods to study reactivity in enzymatic systems.
近期论文
Skjevik ÅA, Madej BD, Dickson CJ, et al., 2015, All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields., Chem Commun (camb), Vol:51, Pages:4402-4405 Dickson CJ, Madej BD, Skjevik AA, et al., 2014, Lipid14: The Amber Lipid Force Field, Journal of Chemical Theory and Computation, Vol:10, ISSN:1549-9618, Pages:865-879 Papadaki M, Gould I, Messer A, et al., 2014, Investigation of the effect of troponin I phosphorylation on troponin C by molecular dynamics simulations, Cardiovascular Research, Vol:103, ISSN:0008-6363 Dufton N, Osuna Almagro L, Birdsey G, et al., 2014, 210 The Endothelial Transcription Factor ERG Inhibits Vascular Inflammation., Heart, Vol:100 Suppl 3, Pages:A115-A116 Dickson CJ, Rosso L, Betz RM, et al., 2012, GAFFlipid: a General Amber Force Field for the accurate molecular dynamics simulation of phospholipid, Soft Matter, Vol:8, ISSN:1744-683X, Pages:9617-9627