PROTON MIGRATION IN PROTON CRYPTATE: A MOLECULAR ORBITAL STUDY ON A PROTON CRYPTATE MODELUMEYAMA H.1980; CHEM. PHARM. BULL.; ISSN 0009-2363; JPN; DA. 1980; VOL. 28; NO 6; PP. 1740-1746; BIBL. 11 REF.Article

A MOLECULAR ORBITAL STUDY ON THE APPROACH OF HYDRIDE ION TO NAD⁺ AS A COENZYMEUMEYAMA H.1980; CHEM. PHARM. BULL.; JPN; DA. 1980; VOL. 28; NO 4; PP. 1317-1319; BIBL. 15 REF.Article

ROLE OF LOCAL INDUCED-FIT OF SER 195 IN BETA -TRYPSIN: A MOLECULAR ORBITAL STUDYNAKAGAWA S; UMEYAMA H.1982; FEBS LETT.; ISSN 0014-5793; NLD; DA. 1982; VOL. 139; NO 2; PP. 181-184; BIBL. 21 REF.Article

EFFECTS OF THE HYDROGEN BOND BETWEEN HIS 57 AND ASP 102 ON THE LONE PAIR MOLECULAR ORBITAL OF NITROGEN OF HIS 57 IN SERINE PROTEASESUMEYAMA H; NAKAGAWA S.1980; CHEM. PHARM. BULL.; ISSN 0009-2363; JPN; DA. 1980; VOL. 28; NO 8; PP. 2292-2300; BIBL. 14 REF.Article

MOLECULAR ORBITAL STUDIES ON THE CH₃CN-BH₃, HCN-BH₃, CH₃NC-BH₃ AND HNC-BH₃ COMPLEXESUMEYAMA H; NOMOTO T.1980; CHEM. PHARM. BULL.; ISSN 0009-2363; JPN; DA. 1980; VOL. 28; NO 8; PP. 2279-2285; BIBL. 12 REF.Article

A MOLECULAR ORBITAL STUDY ON THE SIDE CHAIN STRUCTURES OF TYROSINE AND PHENYLALANINEUMEYAMA H; NAKAGAWA S.1979; CHEM. PHARM. BULL.; JPN; DA. 1979; VOL. 27; NO 9; PP. 2227-2228; BIBL. 6 REF.Article

THE ORIGIN OF BARRIERS TO INTERNAL ROTATION. AN ENERGY DECOMPOSITION STUDY FOR CH₃-CH₃, CH₃-NH₂ AND CH₃-OH.MOROKUMA K; UMEYAMA H.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 49; NO 2; PP. 333-337; BIBL. 16 REF.Article

MOLECULAR ORBITAL STUDIES OF ELECTRON DONOR-ACCEPTOR COMPLEXES. III. ENERGY AND CHARGE DECOMPOSITION ANALYSES IN FOR SEVERAL STRONG COMPLEXES: OC-BH₃, H₃N-BH₃, CH₃H₂N-BH₃(CH₃)₃N-BH₃, AND H₃N-BF₃.UMEYAMA H; MOROKUMA K.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 23; PP. 7208-7220; BIBL. 39 REF.Article

ENERGY DECOMPOSITION ANALYSES OF DIBORANEUMEYAMA H; KUDO T.1981; CHEM. PHARM. BULL.; ISSN 0009-2363; JPN; DA. 1981; VOL. 29; NO 2; PP. 554-558; BIBL. 13 REF.Article

THE ORIGIN OF THE INTERNAL ROTATION BARRIER OF BORANE COMPOUNDSUMEYAMA H; MATSUZAKI T.1979; CHEM. PHARM. BULL.; JPN; DA. 1979; VOL. 27; NO 12; PP. 3164-3166; BIBL. 13 REF.Article

A AB INITIO MOLECULAR ORBITAL STUDY OF MOLECULAR INTERACTIONS BETWEEN FORMIC ACID AND AMMONIAUMEYAMA H; NOMOTO T.1979; CHEM. PHARM. BULL.; JPN; DA. 1979; VOL. 27; NO 5; PP. 1112-1119; BIBL. 9 REF.Article

A MOLECULAR ORBITAL STUDY ON THE COMPLEX BETWEEN ASPARTIC ACID AND HISTIDINE IN THE CHARGE RELAY STRUCTUREUMEYAMA H; NAKAGAWA S.1979; CHEM. PHARM. BULL.; JPN; DA. 1979; VOL. 27; NO 7; PP. 1524-1534; BIBL. 17 REF.Article

ENZYMIC DYNAMICS AND MOLECULAR ORBITAL STUDY ON THE ROLES OF ARGININES IN CARBOXYPEPTIDASE A, A SLIDING MECHANISMNAKAGAWA S; UMEYAMA H.1978; J. AMER. CHEM. SOC.; USA; DA. 1978; VOL. 100; NO 24; PP. 7716-7725; BIBL. 34 REF.Article

MOLECULAR ORBITAL STUDIES ON SERINE, CYSTEINE, AND MODIFIED PROTEASES.NAKAGAWA S; UMEYAMA H.1977; CHEM. PHARM. BULL.; JAP.; DA. 1977; VOL. 25; NO 5; PP. 909-917; BIBL. 16 REF.Article

ORIGIN OF ALKYL SUBSTITUENT EFFECT IN THE PROTON AFFINITY OF AMINES, ALCOHOLS, AND ETHERS.UMEYAMA H; MOROKUMA K.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 15; PP. 4400-4404; BIBL. 30 REF.Article

SIMULATION OF THE CHARGE RELAY STRUCTURE IN RIBONUCLEASE AUMEYAMA H; NAKAGAWA S; FUJII T et al.1979; CHEM. PHARM. BULL.; JPN; DA. 1979; VOL. 27; NO 4; PP. 974-980; BIBL. 15 REF.Article

MOLECULAR ORBITAL STUDIES OF ELECTRON DONOR-ACCEPTOR COMPLEXES. IV. ENERGY DECOMPOSITION ANALYSIS FOR HALOGEN COMPLEXES: H₃N-F₂, H₃N-CL₂, H₃N-CLF, CH₃H₂N-CLF, H₂CO-F₂, HF-C1F AND F₂-F₂.UMEYAMA H; MOROKUMA K; YAMABE S et al.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 2; PP. 330-343; BIBL. 38 REF.Article

MOLECULAR ORBITAL STUDY ON THE STRUCTURE AND BARRIER TO INTERNAL ROTATION OF PHOSPHINE-BORANEUMEYAMA H; KUDO T; NAKAGAWA S et al.1981; CHEM. PHARM. BULL.; ISSN 0009-2363; JPN; DA. 1981; VOL. 29; NO 2; PP. 287-292; BIBL. 28 REF.Article

MOLECULAR ORBITAL STUDY OF THE CLEAVAGE OF ASPIRIN CRYSTALSUMEYAMA H; NAKAGAWA S; MORIGUCHI I et al.1979; J. PHYS. CHEM.; USA; DA. 1979; VOL. 83; NO 15; PP. 2048-2052; BIBL. 13 REF.Article

ENERGY DECOMPOSITION ANALYSIS ALONG THE REACTION COORDINATE. THEORY AND EXAMPLE: F^-+HF->(FHF)^-.UMEYAMA H; KITAURA K; MOROKUMA K et al.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 36; NO 1; PP. 11-15; BIBL. 14 REF.Article

ROLE OF ASP 102 IN THE ENZYMATIC REACTION OF BOVINE B-TRYPSIN. A MOLECULAR ORBITAL STUDYUMEYAMA H; NAKAGAWA S; KUDO T et al.1981; J. MOL. BIOL.; ISSN 0022-2836; GBR; DA. 1981; VOL. 150; NO 3; PP. 409-421; BIBL. 1 P.Article

AB INITIO CALCULATION OF FORCE CONSTANTS OF HYDROXYLAMINEHAMADA Y; TSUBOI M; UMEYAMA H et al.1980; BULL. CHEM. SOC. JAP.; JPN; DA. 1980; VOL. 53; NO 1; PP. 48-52; BIBL. 21 REF.Article

PURIFICATION AND PROPERTIES OF Z PROTEIN FROM RABBIT AND RAT LIVER.MATSUSHITA Y; UMEYAMA H; MORIGUCHI I et al.1977; CHEM. PHARM. BULL.; JAP.; DA. 1977; VOL. 25; NO 4; PP. 647-652; BIBL. 14 REF.Article

A MOLECULAR ORBITAL STUDY ON THE EFFECTS OF SUBSTITUENTS ON THE PROTON TRANSFER FROM SER-195 TO HIS-57 IN THE HYDROLYSIS OF ALPHA -CHYMOTRYPSIN.UMEYAMA H; IMAMURA A; NAGATA C et al.1975; CHEM. PHARM. BULL.; JAP.; DA. 1975; VOL. 23; NO 12; PP. 3045-3055; BIBL. 9 REF.Article

Correlation between molecular orbital distributions in drug-receptor interaction: Diels-Alder reaction systems and dihydrofolate reductase systemKUBODERA, H; UMEYAMA, H.Chemical and pharmaceutical bulletin. 1987, Vol 35, Num 11, pp 4377-4394, issn 0009-2363Article