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Results: 1-11 |
Results: 11
ALL-ATOM EMPIRICAL POTENTIAL FOR MOLECULAR MODELING AND DYNAMICS STUDIES OF PROTEINS
Authors: MACKERELL AD BASHFORD D BELLOTT M DUNBRACK RL EVANSECK JD FIELD MJ FISCHER S GAO J GUO H HA S JOSEPHMCCARTHY D KUCHNIR L KUCZERA K LAU FTK MATTOS C MICHNICK S NGO T NGUYEN DT PRODHOM B REIHER WE ROUX B SCHLENKRICH M SMITH JC STOTE R STRAUB J WATANABE M WIORKIEWICZKUCZERA J YIN D KARPLUS M
Citation: Ad. Mackerell et al., ALL-ATOM EMPIRICAL POTENTIAL FOR MOLECULAR MODELING AND DYNAMICS STUDIES OF PROTEINS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(18), 1998, pp. 3586-3616
LOCALLY ACCESSIBLE CONFORMATIONS OF PROTEINS - MULTIPLE MOLECULAR-DYNAMICS SIMULATIONS OF CRAMBIN
Authors: CAVES LSD EVANSECK JD KARPLUS M
Citation: Lsd. Caves et al., LOCALLY ACCESSIBLE CONFORMATIONS OF PROTEINS - MULTIPLE MOLECULAR-DYNAMICS SIMULATIONS OF CRAMBIN, Protein science, 7(3), 1998, pp. 649-666
INCLUSION COMPLEXATION OF CYCLOBIS(PARAQUAT-P-PHENYLENE) AND RELATED CYCLOPHANE DERIVATIVES WITH SUBSTITUTED AROMATICS - COOPERATIVE NONCOVALENT CAVITY AND EXTERNAL INTERACTIONS
Authors: CASTRO R DAVIDOV PD KUMAR KA MARCHAND AP EVANSECK JD KAIFER AE
Citation: R. Castro et al., INCLUSION COMPLEXATION OF CYCLOBIS(PARAQUAT-P-PHENYLENE) AND RELATED CYCLOPHANE DERIVATIVES WITH SUBSTITUTED AROMATICS - COOPERATIVE NONCOVALENT CAVITY AND EXTERNAL INTERACTIONS, Journal of physical organic chemistry, 10(5), 1997, pp. 369-382
OBSERVATION AND INTERPRETATION OF ANOMALOUS INORGANIC ANION-BINDING WITH ALPHA-CYCLODEXTRINS AND BETA-CYCLODEXTRINS IN AQUEOUS-MEDIA
Authors: GODINEZ LA SCHULZEFIEHN BG PATEL S CRISS CM EVANSECK JD KAIFER AE
Citation: La. Godinez et al., OBSERVATION AND INTERPRETATION OF ANOMALOUS INORGANIC ANION-BINDING WITH ALPHA-CYCLODEXTRINS AND BETA-CYCLODEXTRINS IN AQUEOUS-MEDIA, Supramolecular chemistry, 8(1), 1996, pp. 17-22
EFFECTS OF SIDE ARM LENGTH AND STRUCTURE OF PARASUBSTITUTED PHENYL DERIVATIVES ON THEIR BINDING TO THE HOST CYCLOBIS(PARAQUAT-P-PHENYLENE)
Authors: CASTRO R NIXON KR EVANSECK JD KAIFER AE
Citation: R. Castro et al., EFFECTS OF SIDE ARM LENGTH AND STRUCTURE OF PARASUBSTITUTED PHENYL DERIVATIVES ON THEIR BINDING TO THE HOST CYCLOBIS(PARAQUAT-P-PHENYLENE), Journal of organic chemistry, 61(21), 1996, pp. 7298-7303
UNEXPECTED ROLES OF GUEST POLARIZABILITY AND MAXIMUM HARDNESS, AND OFHOST SOLVATION IN SUPRAMOLECULAR INCLUSION COMPLEXES - A DUAL THEORETICAL AND EXPERIMENTAL-STUDY
Authors: CASTRO R BERARDI MJ CORDOVA E DEOLZA MO KAIFER AE EVANSECK JD
Citation: R. Castro et al., UNEXPECTED ROLES OF GUEST POLARIZABILITY AND MAXIMUM HARDNESS, AND OFHOST SOLVATION IN SUPRAMOLECULAR INCLUSION COMPLEXES - A DUAL THEORETICAL AND EXPERIMENTAL-STUDY, Journal of the American Chemical Society, 118(42), 1996, pp. 10257-10268
TRANSITION STRUCTURES OF THERMALLY ALLOWED DISROTATORY ELECTROCYCLIZATIONS - THE PREDICTION OF STEREOSELECTIVE SUBSTITUENT EFFECTS IN 6-ELECTRON PERICYCLIC-REACTIONS
Authors: EVANSECK JD THOMAS BE SPELLMEYER DC HOUK KN
Citation: Jd. Evanseck et al., TRANSITION STRUCTURES OF THERMALLY ALLOWED DISROTATORY ELECTROCYCLIZATIONS - THE PREDICTION OF STEREOSELECTIVE SUBSTITUENT EFFECTS IN 6-ELECTRON PERICYCLIC-REACTIONS, Journal of organic chemistry, 60(22), 1995, pp. 7134-7141
QUANTIFICATION OF SOLVENT EFFECTS ON THE ACIDITIES OF Z-ESTER AND E-ESTER FROM FLUID SIMULATIONS
Authors: EVANSECK JD HOUK KN BRIGGS JM JORGENSEN WL
Citation: Jd. Evanseck et al., QUANTIFICATION OF SOLVENT EFFECTS ON THE ACIDITIES OF Z-ESTER AND E-ESTER FROM FLUID SIMULATIONS, Journal of the American Chemical Society, 116(23), 1994, pp. 10630-10638
TRANSITION STRUCTURES OF THE ELECTROCYCLIC REACTIONS OF CIS, CIS, CIS-1,3,5-CYCLOOCTATRIENE
Authors: THOMAS BE EVANSECK JD HOUK KN
Citation: Be. Thomas et al., TRANSITION STRUCTURES OF THE ELECTROCYCLIC REACTIONS OF CIS, CIS, CIS-1,3,5-CYCLOOCTATRIENE, Israel Journal of Chemistry, 33(3), 1993, pp. 287-293
STRUCTURES AND ENERGIES OF INTERMEDIATES IN THE REACTIONS OF SINGLET OXYGEN WITH ORGANIC PHOSPHINES AND SULFIDES
Authors: NAHM K LI Y EVANSECK JD HOUK KN FOOTE CS
Citation: K. Nahm et al., STRUCTURES AND ENERGIES OF INTERMEDIATES IN THE REACTIONS OF SINGLET OXYGEN WITH ORGANIC PHOSPHINES AND SULFIDES, Journal of the American Chemical Society, 115(11), 1993, pp. 4879-4884
ELECTROCYCLIC REACTIONS OF 1-SUBSTITUTED 1,3,5,7-OCTATETRAENES - AN ABINITIO MOLECULAR-ORBITAL STUDY OF TORQUOSELECTIVITY IN 8-ELECTRON ELECTROCYCLIZATIONS
Authors: THOMAS BE EVANSECK JD HOUK KN
Citation: Be. Thomas et al., ELECTROCYCLIC REACTIONS OF 1-SUBSTITUTED 1,3,5,7-OCTATETRAENES - AN ABINITIO MOLECULAR-ORBITAL STUDY OF TORQUOSELECTIVITY IN 8-ELECTRON ELECTROCYCLIZATIONS, Journal of the American Chemical Society, 115(10), 1993, pp. 4165-4169
Risultati: 1-11 |