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- Installing PyMol from MacPorts
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- Small Molecule Dihedrals Parametrization
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- Parametrize new ligands for AMBER and CHARMM
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1986. On the binding of cinmetacin and indomethacin to human serum albumin. The Journal of pharmacy and pharmacology. 38(12):925-927. Abstract
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1987. Measurement of a glycoprotein with blood group A activity by light scattering. Journal of Biochemical and Biophysical Methods. 14(3):119-126. Abstract
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1987. On the mechanism of histamine H2 receptor activation. Molecular pharmacology. 32(4):557-563. Abstract
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1987. Determination of the encapsulation efficiency in liposomes obtained by the 'extruder method'. Journal of microencapsulation. 4(4):315-320. Abstract
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1988. Spectrophotometric determination of the stability of an ampicillin-dicloxacillin suspension. Journal of pharmaceutical and biomedical analysis. 6(1):23-28. Abstract
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1988. POEMS: program for outliers elimination in multidimensional space. Computer applications in the biosciences : CABIOS. 4(3):381-385. Abstract
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1989. Structure-activity relationships of H2-receptor histamine antagonists based on quantum chemical methods. Progress in clinical and biological research. 291:373-376.
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1989. POEAMS: program for outliers elimination in 'anomalous' multidimensional space. Computer applications in the biosciences : CABIOS. 5(3):241-242.
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1990. A practical procedure for the determination of electrostatic charges of large molecules. Journal of computer-aided molecular design. 4(4):411-426. Abstract
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1993. QSAR and conformational analysis of the antiinflammatory agent amfenac and analogues. Journal of computer-aided molecular design. 7(2):183-198. Abstract
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1994. Molecular mechanics in biology: from structure to function, taking account of solvation. Annual Review of Biophysics and Biomolecular Structure. 23:847-863.
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1994. DNA sequence-specific reading by echinomycin: role of hydrogen bonding and stacking interactions. Journal of medicinal chemistry. 37(11):1602-1609. Abstract
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1994. Binding of echinomycin to d(GCGC)2 and d(CCGG)2: distinct stacking interactions dictate the sequence-dependent formation of Hoogsteen base pairs. Journal of Biomolecular Structure & Dynamics. 12(1):111-129. Abstract
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1995. Molecular dynamics study of the binding of elsamicin A to DNA. European journal of biochemistry / FEBS. 230(2):555-566. Abstract
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1996. Tautomerism of xanthine and alloxanthine: a model for substrate recognition by xanthine oxidase. Journal of computer-aided molecular design. 10(6):535-544. Abstract
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1997. Computer-assisted drug design: current status and future trends. Methods and findings in experimental and clinical pharmacology. 19 Suppl A:33-35.
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1997. Role of tautomerism of 2-azaadenine and 2-azahypoxanthine in substrate recognition by xanthine oxidase. Journal of computer-aided molecular design. 11(2):153-162. Abstract
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1997. Helical preferences of alanine, glycine, and aminoisobutyric homopeptides. Proteins. 28(1):83-93. Abstract
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1998. Is polarization important in cation-pi interactions? Proceedings of the National Academy of Sciences of the United States of America. 95(11):5976-5980. Abstract
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1998. On the potential role of the amino nitrogen atom as a hydrogen bond acceptor in macromolecules. Journal of Molecular Biology. 279(5):1123-1136. Abstract
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1998. Salt bridge interactions: stability of the ionic and neutral complexes in the gas phase, in solution, and in proteins. Proteins. 32(1):67-79. Abstract
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1998. Triple helix stabilization properties of oligonucleotides containing 8-amino-2'-deoxyguanosine. Bioorganic & medicinal chemistry letters. 8(21):3011-3016. Abstract
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1999. Fractional description of free energies of solvation. Journal of computer-aided molecular design. 13(2):139-152. Abstract
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1999. The structural and electronical factors that contribute affinity for the time-dependent inhibition of PGHS-1 by indomethacin, diclofenac and fenamates. Journal of computer-aided molecular design. 13(3):297-313. Abstract
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1999. Can G-C Hoogsteen-wobble pairs contribute to the stability of d(G. C-C) triplexes? Nucleic acids research. 27(11):2248-2255. Abstract