AAAAAA

   
Results: 1-16 |
Results: 16
DEPENDENCE OF THE SOLVATION FREE-ENERGIES ON ATOMIC CHARGE-DISTRIBUTION
Authors: CIEPLAK P
Citation: P. Cieplak, DEPENDENCE OF THE SOLVATION FREE-ENERGIES ON ATOMIC CHARGE-DISTRIBUTION, Polish Journal of Chemistry, 72(7), 1998, pp. 1464-1471
CONTINUUM SOLVENT STUDIES OF THE STABILITY OF DNA, RNA, AND PHOSPHORAMIDATE - DNA HELICES
Authors: SRINIVASAN J CHEATHAM TE CIEPLAK P KOLLMAN PA CASE DA
Citation: J. Srinivasan et al., CONTINUUM SOLVENT STUDIES OF THE STABILITY OF DNA, RNA, AND PHOSPHORAMIDATE - DNA HELICES, Journal of the American Chemical Society, 120(37), 1998, pp. 9401-9409
AR-C2H2 - A CHALLENGING SYSTEM FOR AB-INITIO CALCULATIONS
Authors: HASSE RD SEVERSON MW SZCZESNIAK MM CHALASINSKI G CIEPLAK P KENDALL RA CYBULSKI SM
Citation: Rd. Hasse et al., AR-C2H2 - A CHALLENGING SYSTEM FOR AB-INITIO CALCULATIONS, Journal of molecular structure, 437, 1997, pp. 387-400
MOLECULAR-DYNAMICS SIMULATIONS FIND THAT 3' PHOSPHORAMIDATE MODIFIED DNA DUPLEXES UNDERGO A B-TRANSITION TO A-TRANSITION AND NORMAL DNA DUPLEXES AN A-TRANSITION TO B-TRANSITION
Authors: CIEPLAK P CHEATHAM TE KOLLMAN PA
Citation: P. Cieplak et al., MOLECULAR-DYNAMICS SIMULATIONS FIND THAT 3' PHOSPHORAMIDATE MODIFIED DNA DUPLEXES UNDERGO A B-TRANSITION TO A-TRANSITION AND NORMAL DNA DUPLEXES AN A-TRANSITION TO B-TRANSITION, Journal of the American Chemical Society, 119(29), 1997, pp. 6722-6730
INTERACTIONS OF ANESTHETICS WITH THE MEMBRANE-WATER INTERFACE
Authors: POHORILLE A CIEPLAK P WILSON MA
Citation: A. Pohorille et al., INTERACTIONS OF ANESTHETICS WITH THE MEMBRANE-WATER INTERFACE, Chemical physics, 204(2-3), 1996, pp. 337-345
ELUCIDATING THE ORIGIN OF CONFORMATIONAL ENERGY DIFFERENCES IN SUBSTITUTED 1,3-DIOXANES - A COMBINED THEORETICAL AND EXPERIMENTAL-STUDY
Authors: CIEPLAK P HOWARD AE POWERS JP RYCHNOVSKY SD KOLLMAN PA
Citation: P. Cieplak et al., ELUCIDATING THE ORIGIN OF CONFORMATIONAL ENERGY DIFFERENCES IN SUBSTITUTED 1,3-DIOXANES - A COMBINED THEORETICAL AND EXPERIMENTAL-STUDY, Journal of organic chemistry, 61(11), 1996, pp. 3662-3668
A SECOND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES (VOL 117, PG 5179, 1995)
Authors: CORNELL WD CIEPLAK P BAYLY CI GOULD IR MERZ KM FERGUSON DM SPELLMEYER DC FOX T CALDWELL JW KOLLMAN PA
Citation: Wd. Cornell et al., A SECOND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES (VOL 117, PG 5179, 1995), Journal of the American Chemical Society, 118(9), 1996, pp. 2309-2309
A MOLECULAR MECHANICAL MODEL THAT REPRODUCES THE RELATIVE ENERGIES FOR CHAIR AND TWIST-BOAT CONFORMATIONS OF 1,3-DIOXANES
Authors: HOWARD AE CIEPLAK P KOLLMAN PA
Citation: Ae. Howard et al., A MOLECULAR MECHANICAL MODEL THAT REPRODUCES THE RELATIVE ENERGIES FOR CHAIR AND TWIST-BOAT CONFORMATIONS OF 1,3-DIOXANES, Journal of computational chemistry, 16(2), 1995, pp. 243-261
APPLICATION OF THE MULTIMOLECULE AND MULTICONFORMATIONAL RESP METHODOLOGY TO BIOPOLYMERS - CHARGE DERIVATION FOR DNA, RNA, AND PROTEINS
Authors: CIEPLAK P CORNELL WD BAYLY C KOLLMAN PA
Citation: P. Cieplak et al., APPLICATION OF THE MULTIMOLECULE AND MULTICONFORMATIONAL RESP METHODOLOGY TO BIOPOLYMERS - CHARGE DERIVATION FOR DNA, RNA, AND PROTEINS, Journal of computational chemistry, 16(11), 1995, pp. 1357-1377
A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES
Authors: CORNELL WD CIEPLAK P BAYLY CI GOULD IR MERZ KM FERGUSON DM SPELLMEYER DC FOX T CALDWELL JW KOLLMAN PA
Citation: Wd. Cornell et al., A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES, Journal of the American Chemical Society, 117(19), 1995, pp. 5179-5197
WALKING ON THE FREE-ENERGY HYPERSURFACE OF THE 18-CROWN-6 ION SYSTEM USING FREE-ENERGY DERIVATIVES
Authors: CIEPLAK P PEARLMAN DA KOLLMAN PA
Citation: P. Cieplak et al., WALKING ON THE FREE-ENERGY HYPERSURFACE OF THE 18-CROWN-6 ION SYSTEM USING FREE-ENERGY DERIVATIVES, The Journal of chemical physics, 101(1), 1994, pp. 627-633
ACCURATE SOLVATION FREE-ENERGIES OF ACETATE AND METHYLAMMONIUM IONS CALCULATED WITH A POLARIZABLE WATER MODEL
Authors: MENG EC CIEPLAK P CALDWELL JW KOLLMAN PA
Citation: Ec. Meng et al., ACCURATE SOLVATION FREE-ENERGIES OF ACETATE AND METHYLAMMONIUM IONS CALCULATED WITH A POLARIZABLE WATER MODEL, Journal of the American Chemical Society, 116(26), 1994, pp. 12061-12062
PEPTIDE MIMETICS AS ENZYME-INHIBITORS - USE OF FREE-ENERGY PERTURBATION CALCULATIONS TO EVALUATE ISOSTERIC REPLACEMENT FOR AMIDE BONDS IN APOTENT HIV PROTEASE INHIBITOR
Authors: CIEPLAK P KOLLMAN PA
Citation: P. Cieplak et Pa. Kollman, PEPTIDE MIMETICS AS ENZYME-INHIBITORS - USE OF FREE-ENERGY PERTURBATION CALCULATIONS TO EVALUATE ISOSTERIC REPLACEMENT FOR AMIDE BONDS IN APOTENT HIV PROTEASE INHIBITOR, Journal of computer-aided molecular design, 7(3), 1993, pp. 291-304
A WELL-BEHAVED ELECTROSTATIC POTENTIAL BASED METHOD USING CHARGE RESTRAINTS FOR DERIVING ATOMIC CHARGES - THE RESP MODEL
Authors: BAYLY CI CIEPLAK P CORNELL WD KOLLMAN PA
Citation: Ci. Bayly et al., A WELL-BEHAVED ELECTROSTATIC POTENTIAL BASED METHOD USING CHARGE RESTRAINTS FOR DERIVING ATOMIC CHARGES - THE RESP MODEL, Journal of physical chemistry, 97(40), 1993, pp. 10269-10280
APPLICATION OF RESP CHARGES TO CALCULATE CONFORMATIONAL ENERGIES, HYDROGEN-BOND ENERGIES, AND FREE-ENERGIES OF SOLVATION
Authors: CORNELL WD CIEPLAK P BAYLY CI KOLLMAN PA
Citation: Wd. Cornell et al., APPLICATION OF RESP CHARGES TO CALCULATE CONFORMATIONAL ENERGIES, HYDROGEN-BOND ENERGIES, AND FREE-ENERGIES OF SOLVATION, Journal of the American Chemical Society, 115(21), 1993, pp. 9620-9631
HYDRATION OF BENZOIC-ACID IN BENZENE SOLUTION .3. INTERACTION ENERGY CALCULATIONS
Authors: CIEPLAK P PAWLOWSKI W WIECKOWSKA E
Citation: P. Cieplak et al., HYDRATION OF BENZOIC-ACID IN BENZENE SOLUTION .3. INTERACTION ENERGY CALCULATIONS, Zeitschrift für physikalische Chemie, 177, 1992, pp. 63-74
Risultati: 1-16 |