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Computational Chemistry and Biology

Faculty Program Interests

 

Xi Chu

Xi Chu

Assistant Professor

xi.chu@umontana.edu

Chemistry

Ab initio or semi-empirical quantum mechanics applied to the transition states stabilized by enzymes and the behavior of many-electron systems in ultra-fast intense laser fields.

 

Mark Grimes

Mark Grimes

Associate Professor

mark.grimes@umontana.edu

Cellular, Molecular & Microbial Biology

Interacting Kinase networks in Neuroblastoma.

 

Douglas Raiford

Douglas Raiford

Assistant Professor

douglas.raiford@umontana.edu

Biochemistry & Biophysics

Application of principles from computer science to problems in biology and biochemistry: similarity of RNA secondary structure; global forces involved in genomic and proteomic evolution; evaluating phylogenetic relationships, and analyzing metagenomic data.

Recent publications related to Computational Chemistry and Biology from UM Faculty:

Role of resonance-enhanced multiphoton excitation in high-harmonic generation of N-2: A time-dependent density-functional-theory study Author(s): Chu, Xi; Groenenboom, Gerrit C Source: PHYSICAL REVIEW A  Volume: 87   Issue: 1  Article Number: 013434   DOI: 10.1103/PhysRevA.87.013434   Published: JAN 31 2013

Wrangling phosphoproteomic data to elucidate cancer signaling pathways. Grimes ML, Lee WJ, van der Maaten L, Shannon P. PLoS One. 2013;8(1):e52884. doi: 10.1371/journal.pone.0052884. Epub 2013 Jan 3. PMID: 23300999

Metabolic and translational efficiency in microbial organisms. Raiford DW, Heizer EM Jr, Miller RV, Doom TE, Raymer ML, Krane DE. J Mol Evol. 2012 Apr;74(3-4):206-16. doi: 10.1007/s00239-012-9500-9. Epub 2012 Apr 27. PMID: 22538926

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