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Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner.
Liu, Zhaomin; Pottel, Joshua; Shahamat, Moeed; Tomberg, Anna; Labute, Paul; Moitessier, Nicolas.
Affiliation
  • Liu Z; Department of Chemistry, McGill University , 801 Sherbrooke St. W., Montréal, QC, Canada H3A 0B8.
  • Pottel J; Department of Chemistry, McGill University , 801 Sherbrooke St. W., Montréal, QC, Canada H3A 0B8.
  • Shahamat M; Department of Chemistry, McGill University , 801 Sherbrooke St. W., Montréal, QC, Canada H3A 0B8.
  • Tomberg A; Department of Chemistry, McGill University , 801 Sherbrooke St. W., Montréal, QC, Canada H3A 0B8.
  • Labute P; Chemical Computing Group Inc. , 1010 Sherbrooke St. W., Montréal, QC, Canada H3A 2R7.
  • Moitessier N; Department of Chemistry, McGill University , 801 Sherbrooke St. W., Montréal, QC, Canada H3A 0B8.
J Chem Inf Model ; 56(4): 788-801, 2016 04 25.
Article in En | MEDLINE | ID: mdl-27028941
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Pharmaceutical Preparations / Drug Design / Electrons Type of study: Prognostic_studies / Qualitative_research / Risk_factors_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2016 Document type: Article Country of publication: United States
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Pharmaceutical Preparations / Drug Design / Electrons Type of study: Prognostic_studies / Qualitative_research / Risk_factors_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2016 Document type: Article Country of publication: United States