Search Results - "Boyd, Donald B."

Evaluation of Computational Chemistry Methods:  Crystallographic and Cheminformatics Analysis of Aminothiazole Methoximes by Ercanli, Tulay, Boyd, Donald B

“…Cheminformatics is used to validate the capabilities of widely used quantum chemistry and molecular mechanics methods. Among the quantum methods examined are…”
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Simple Structure-Based Approach for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer’s Disease by Nastase, Anthony F, Boyd, Donald B

“…Beta-site amyloid precursor protein cleaving enzyme-1 (BACE1) is a target of interest for treating patients with Alzheimer’s disease (AD). Inhibition of BACE1…”
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Exploration of the Conformational Space of a Polymeric Material that Inhibits Human Immunodeficiency Virus by Ercanli, Tulay, Boyd, Donald B

“…Baertschi et al. (Antiviral Chem. Chemother. 1997, 8, 353−362) clarified the nature of a polymeric degradation product formed from the cephalosporin…”
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Synthesis, conformational analysis, and biological activity of new analogues of thiazole-4-carboxamide adenine dinucleotide (TAD) as IMP dehydrogenase inhibitors by Franchetti, Palmarisa, Cappellacci, Loredana, Pasqualini, Michela, Petrelli, Riccardo, Jayaprakasan, Vetrichelvan, Jayaram, Hiremagalur N., Boyd, Donald B., Jain, Manojkumar D., Grifantini, Mario

“…[Display omitted] Thiazole-4-carboxamide adenine dinucleotide (TAD) analogues T-2′-MeAD ( 1) and T-3′-MeAD ( 2) containing, respectively, a methyl group at the…”
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Substituent effects in cephalosporins as assessed by molecular orbital calculations, nuclear magnetic resonance, and kinetics by Boyd, Donald B

“…For cephalosporins with different side chains at position 3, the quantum mechanically computed charge distribution in the beta-lactam carbonyl group can be…”
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A new beginning for the journal by Boyd, Donald B

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Arylpiperazines with Serotonin-3 Antagonist Activity:  A Comparative Molecular Field Analysis by Morreale, Antonio, Gálvez-Ruano, Enrique, Iriepa-Canalda, Isabel, Boyd, Donald B

“…Comparative molecular field analysis (CoMFA) is applied to antagonists of the 5-HT3 receptor. Analysis is done separately on three published sets of…”
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Application of the hypersurface iterative projection method to bicyclic pyrazolidinone antibacterial agents by Boyd, Donald B

“…Bicyclic pyrazolidinones are a class of synthetic antibacterial agents in which the beta-lactam ring is replaced by a five-membered ring. These compounds…”
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Application of the hypersurface iterative projection method to bicyclic pyrazolidinone antibacterial agents. [Erratum to document cited in CA118(23):224933z] by Boyd, Donald B

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A thank you to scientists who refereed papers for the journal by Boyd, Donald B, Hubbard, Roderick E

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Mechanism of hydrolysis of cyclic phosphate esters by Boyd, Donald B

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Bonding, proton transfer, and diradical stabilization in phosphonium ylides by Hoffmann, Roald, Boyd, Donald B, Goldberg, Stephen Z

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Electronic structures of cephalosporins and penicillins. 11. Parabolic relationships between antibacterial activity of cephalosporins and .beta.-lactam reactivity predicted from molecular orbital calculations by Boyd, Donald B, Herron, David K, Lunn, W. H. W, Spitzer, Wayne A

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Nonpeptide angiotensin II receptor antagonists: synthetic and computational chemistry of N-[[4-[2-(2H-tetrazol-5-yl)-1-cycloalken-1-yl]phenyl]methyl]imidazole derivatives and their in vitro activity by Lin, Ho Shen, Rampersaud, Ashraff A, Zimmerman, Karen, Steinberg, Mitchell I, Boyd, Donald B

“…A series of nonpeptide angiotensin II receptor antagonists was synthesized and tested in vitro to investigate requirements for recognition by and binding to…”
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Structural studies of cannabinoids. Theoretical and proton magnetic resonance analysis by Archer, Robert A, Boyd, Donald B, Demarco, Paul V, Tyminski, Irene J, Allinger, Norman L

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Molecular mechanics: The method and its underlying philosophy by Boyd, Donald B, Lipkowitz, Kenny B

“…The philosophy, significance, and limitations of molecular mechanics…”
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Elucidating the leaving group effect in the .beta.-lactam ring opening mechanism of cephalosporins by Boyd, Donald B

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Synthesis, hydrolysis rates, supercomputer modeling, and antibacterial activity of bicyclic tetrahydropyridazinones by Jungheim, Louis N, Boyd, Donald B, Indelicato, Joseph M, Pasini, Carol E, Preston, David A, Alborn, William E

“…Bicyclic tetrahydropyridazinones, such as 13, where X are strongly electron-withdrawing groups, were synthesized to investigate their antibacterial activity…”
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Conformational dependence of the electronic energy levels in disulfides by Boyd, Donald B

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Leaving group ability and pKa in elimination reactions by Boyd, Donald B

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