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A MOLECULAR MECHANICAL STUDY OF COMPLEXES FORMED BETWEEN 4-NITROQUINOLINE-N-OXIDE AND DINUCLEOSIDE PHOSPHATESLYBRAND T; DEARING A; WEINER P et al.1981; NUCLEIC ACIDS RES.; ISSN 0305-1048; GBR; DA. 1981; VOL. 9; NO 24; PP. 6995-7011; BIBL. 22 REF.Article

Three-dimensional structure for the β2 adrenergic receptor protein based on computer modeling studiesMALONEYHUSS, K; LYBRAND, T. P.Journal of molecular biology. 1992, Vol 225, Num 3, pp 859-871, issn 0022-2836Article

Molecular mechanical calculations on the interaction of ethidium cation with double-helical DNALYBRAND, T; KOLLMAN, P.Biopolymers. 1985, Vol 24, Num 10, pp 1863-1879, issn 0006-3525Article

A new water potential including polarization : application to gas-phase, liquid, and crystal properties of waterCIEPLAK, P; KOLLMAN, P; LYBRAND, T et al.The Journal of chemical physics. 1990, Vol 92, Num 11, pp 6755-6760, issn 0021-9606Article

Hydration of chloride and bromide anions: determination of relative free energy by computer simulationLYBRAND, T. P; INDIRA GHOSH; MCCAMMON, J. A et al.Journal of the American Chemical Society. 1985, Vol 107, Num 25, pp 7793-7794, issn 0002-7863Article

Water-water and water-ion potential functions including terms for many body effectsLYBRAND, T. P; KOLLMAN, P. A.The Journal of chemical physics. 1985, Vol 83, Num 6, pp 2923-2933, issn 0021-9606Article

A comparison of perturbation methods and Poisson-Boltzmann electrostatics calculations for estimation of relative solvation free energiesEWING, T. J. A; LYBRAND, T. P.Journal of physical chemistry (1952). 1994, Vol 98, Num 7, pp 1748-1752, issn 0022-3654Article

PAP : a protein analysis packageCALLAHAN, T; GLEASON, W. B; LYBRAND, T. P et al.Journal of applied crystallography. 1990, Vol 23, Num 5, pp 434-436, issn 0021-8898, 3 p.Article

Calculation of free energy changes in ion-water clusters using nonadditive potentials and the Monte Carlo methodCIEPLAK, P; LYBRAND, T. P; KOLLMAN, P. A et al.The Journal of chemical physics. 1987, Vol 86, Num 11, pp 6393-6403, issn 0021-9606Article

Theoretical calculation of relative binding affinity in host-guest systemsLYBRAND, T. P; MCCAMMON, J. A; WIPFF, G et al.Proceedings of the National Academy of Sciences of the United States of America. 1986, Vol 83, Num 4, pp 833-835, issn 0027-8424Article

Use of T cell receptor/HLA-DRB1*04 molecular modeling to predict site-specific interactions for the DR shared epitope associated with rheumatoid arthritisPENZOTTI, J. E; NEPOM, G. T; LYBRAND, T. P et al.Arthritis and rheumatism. 1997, Vol 40, Num 7, pp 1316-1326, issn 0004-3591Article

Molecular recognition in nonaqueous solvents: Na+, K+, and 18-crown-6 in methanolMAZOR, M. H; MCCAMMON, J. A; LYBRAND, T. P et al.Journal of the American Chemical Society. 1989, Vol 111, Num 1, pp 55-56, issn 0002-7863, 2 p.Article

Three-dimensional models for agonist and antagonist complexes with β2 adrenergic receptorKONTOYIANNI, M; DEWEESE, C; PENZOTTI, J. E et al.Journal of medicinal chemistry (Print). 1996, Vol 39, Num 22, pp 4406-4420, issn 0022-2623Article

Molecular recognition in nonaqueous solvents. II, Structural and thermodynamic analysis of cationic selectivity of 18-crown-6 in methanolMAZOR, M. H; MCCAMMON, J. A; LYBRAND, T. P et al.Journal of the American Chemical Society. 1990, Vol 112, Num 11, pp 4411-4419, issn 0002-7863Article

A molecular model of myelin oligodendrocyte glycoproteinHJELMSTRÖM, P; PENZOTTI, J. E; HENNE, R. M et al.Journal of neurochemistry. 1998, Vol 71, Num 4, pp 1742-1749, issn 0022-3042Article

Conformation and electrostatic potential surfaces of opiates: relationship to u- and λ-site bindingLYBRAND, T. P; KOLLMAN, P. A; YU, V. C et al.Pharmaceutical research. 1986, Vol 3, Num 4, pp 218-224, issn 0724-8741Article

Comment on: water-water and water-ion potential functions including terms for many-body effects, T. P. Lybrand and P. Kollman, J. Chem. Phys. 83,2923 (1985), and on calculation of free energy changes in ion-water clusters using nonadditive potentials and the Monte Carlo method, P. Cieplak, T. P. Lybrand, and P. Kollman, J. chem. Phys. 86,6393 (1987). ReplyBERNE, B. J; WALLQVIST, A; KOLLMAN, P et al.The Journal of chemical physics. 1988, Vol 88, Num 12, pp 8016-8017, issn 0021-9606Article

Molecular mechanics simulations on covalent complexes between polycyclic carcinogens and B-DNARAO, S. N; LYBRAND, T; MICHAUD, D et al.Carcinogenesis (New York. Print). 1989, Vol 10, Num 1, pp 27-38, issn 0143-3334Article

Polarizable water models: vectorization of energy calculations on the CYBER 205SAUNIERE, J. C; LYBRAND, T. P; MCCAMMON, J. A et al.Computers & chemistry. 1989, Vol 13, Num 4, pp 313-317, issn 0097-8485, 5 p.Article

Computer modeling of actinomycin D interactions with double-helical DNALYBRAND, T. P; BROWN, S. C; CREIGHTON, S et al.Journal of molecular biology. 1986, Vol 191, Num 3, pp 495-507, issn 0022-2836Article

A peptide agonist acts by occupation of a monomeric G protein-coupled receptor : Dual sites of covalent attachment to domains near TM1 and TM7 of the same molecule make biologically significant domain-swapped dimerization unlikelyHADAC, E. M; ZONGSHI JI; PINON, D. I et al.Journal of medicinal chemistry (Print). 1999, Vol 42, Num 12, pp 2105-2111, issn 0022-2623Article

Polymorphic amino acid variations in HLA-DQ are associated with systematic physical property changes and occurrence of IDDMSANJEEVI, C. B; LYBRAND, T. P; DEWEESE, C et al.Diabetes (New York, NY). 1995, Vol 44, Num 1, pp 125-131, issn 0012-1797Article

Analysis of antibody markers, DRB1, DRB5, DQA1 and DQB1 genes and modeling of DR2 molecules in DR2-positive patients with insulin-dependent diabetes mellitusSANJEEVI, C. B; LYBRAND, T. P; LANDIN-OLSSON, M et al.Tissue antigens. 1994, Vol 44, Num 2, pp 110-119, issn 0001-2815Article

Synthesis and pharmacological evaluation of the anticonvulsant activity of bivalent ligands derived from 4-amino-2',6'-dimethylbenzanilidePOUPAERT, J. H; HERMANS, E; JONCKHEERE, Y et al.Asia pacific journal of pharmacology. 1990, Vol 5, Num 3, pp 249-251, issn 0217-9687, 3 p.Article

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