THEORETICAL STUDIES OF THE K⁺ AFFINITIES OF BASES: A COMPARISON OF K⁺ AND LI⁺ AFFINITIES.KOLLMAN P.1978; CHEM. PHYS. LETTERS; NETHERL.; DA. 1978; VOL. 55; NO 3; PP. 555-559; BIBL. 16 REF.Article

HYDRATION OF NH₄F.KOLLMAN P; KUNTZ I.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 22; PP. 6820-6825; BIBL. 33 REF.Article

Applications of computer simulation approaches to proteins and nucleic acidsKOLLMAN, P.Fresenius' Zeitschrift für analytische Chemie. 1990, Vol 337, Num 1, issn 0016-1152, p. 3Conference Paper

A MOLECULAR MECHANICS STUDY OF 18-CROWN-6 AND ITS ALKALI COMPLEXES: AN ANALYSIS OF STRUCTURAL FLEXIBILITY, LIGAND SPECIFICITY, AND THE MACROCYCLIC EFFECTWIPFF G; WEINER P; KOLLMAN P et al.1982; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1982; VOL. 104; NO 12; PP. 3249-3258; BIBL. 55 REF.Article

AN AB INITIO MOLECULAR ORBITAL STUDY OF INTRAMOLECULAR H-BONDING: 1,3 PROPANEDIOLJOHANSSON A; KOLLMAN P; ROTHENBERG S et al.1973; CHEM. PHYS. LETTERS; NETHERL.; DA. 1973; VOL. 18; NO 2; PP. 276-279; BIBL. 11 REF.Serial Issue

THE NH₂ SUBSTITUENT EFFECT ON THE PROPERTIES OF IONIC COMPOUNDS.KOLLMAN P; MCKELVEY J; GUND P et al.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 7; PP. 1640-1645; BIBL. 26 REF.Article

THE STRUCTURE AND RELATIVE ENERGIES OF C₂H₂X⁺ ISOMERS (X=F, OH, NH₂, CL AND SH)KOLLMAN P; NELSON S; ROTHENBERG S et al.1978; J. PHYS. CHEM.; USA; DA. 1978; VOL. 82; NO 12; PP. 1403-1406; BIBL. 20 REF.Article

AN APPLICATION OF THE FUNCTIONAL BOYS-BERNARDI COUNTERPOISE METHOD TO MOLECULAR POTENTIAL SURFACESJOHANSSON A; KOLLMAN P; ROTHENBERG S et al.1973; THEOR. CHIM. ACTA; ALLEM.; DA. 1973; VOL. 29; NO 2; PP. 167-172; ABS. ALLEM.; BIBL. 10 REF.Serial Issue

Conformational and energetics effects of truncating nonbonded interactions in an aqueous protein dynamics simulationGUENOT, J; KOLLMAN, P. A.Journal of computational chemistry. 1993, Vol 14, Num 3, pp 295-311, issn 0192-8651Article

On the role of uniform and mixed sugar puckers in DNA double-helical structuresRAO, S. N; KOLLMAN, P.Journal of the American Chemical Society. 1985, Vol 107, Num 6, pp 1611-1617, issn 0002-7863Article

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

A MOLECULAR ORBITAL STUDY OF THE BENZENE OXIDE-OXEPIN VALENCE ISOMERIZATIONHAYES DM; NELSON SD; GARLAND WA et al.1980; J. AMER. CHEM. SOC.; USA; DA. 1980; VOL. 102; NO 4; PP. 1255-1262; BIBL. 21 REF.Article

Energy component analysis calculations on interactions involving I₂ and HICHANDRA SINGH, U; KOLLMAN, P.Journal of physical chemistry (1952). 1983, Vol 87, Num 26, pp 5386-5388, issn 0022-3654Article

THEORETICAL STUDIES OF HYDROGEN-BONDED DIMERS. COMPLEXES INVOLVING HF, H₂O, NH₃, HCL, H₂S, PH₃, HCN, HNC, CH₂NH, H₂CS, H₂CO, CH₄, CF₃H, C₂H₂, C₂H₄, C₆H₆, F^- AND H₃O⁺.KOLLMAN P; MCKELVEY J; JOHANSSON A et al.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 5; PP. 955-965; BIBL. DISSEM.Article

Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solutionYONG DUAN; KOLLMAN, P. A.Science (Washington, D.C.). 1998, Vol 282, Num 5389, pp 740-744, issn 0036-8075Article

Calculation of the free energy of association of nucleic acid bases in vacuo and water solutionCIEPLAK, P; KOLLMAN, P. A.Journal of the American Chemical Society. 1988, Vol 110, Num 12, pp 3734-3739, issn 0002-7863, 6 p.Article

A molecular mechanical study of netropsin-DNA interactionsCALDWELL, J; KOLLMAN, P.Biopolymers. 1986, Vol 25, Num 2, pp 249-266, issn 0006-3525Article

Molecular mechanical calculations on a macrocyclic receptor: the 222 cryptand and its alkali complexesWIPFF, G; KOLLMAN, P.Nouveau journal de chimie (1977). 1985, Vol 9, Num 7, pp 457-465, issn 0398-9836Article

Molecular dynamics studies of calixspherand complexes with alkali metal cations : calculation of the absolute and relative free energies of binding of cations to a calixspherandMIYAMOTO, S; KOLLMAN, P. A.Journal of the American Chemical Society. 1992, Vol 114, Num 10, pp 3668-3674, issn 0002-7863Article

Molecular dynamics simulations of active site mutants of triosephosphate isomeraseDAGGETT, V; KOLLMAN, P. A.Protein engineering (Print). 1990, Vol 3, Num 8, pp 677-690, issn 0269-2139, 14 p.Article

Monte Carlo simulation of aqueous solutions of Li⁺ and Na⁺ using many-body potentials. Coordination numbers, ion solvation enthalpies, and the relative free energy of solvationCIEPLAK, P; KOLLMAN, P.The Journal of chemical physics. 1990, Vol 92, Num 11, pp 6761-6767, issn 0021-9606, 7 p.Article

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

Molecular dynamics and free energy calculations on the peculiar bimodal alkali ion selectivity of an 8-subunit cavitandBAYLY, C. I; KOLLMAN, P. A.Journal of the American Chemical Society. 1994, Vol 116, Num 2, pp 697-703, issn 0002-7863Article

Theoretical investigations of novel nucleic acid basesLEACH, A. R; KOLLMAN, P. A.Journal of the American Chemical Society. 1992, Vol 114, Num 10, pp 3675-3683, issn 0002-7863Article

Ab initio calculations of Cl^-(H₂O)₁₄ clusters : comparison with the results from molecular dynamics simulationsCALDWELL, J. W; KOLLMAN, P. A.Journal of physical chemistry (1952). 1992, Vol 96, Num 21, pp 8249-8251, issn 0022-3654Article