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Results: 1-25/45
Authors:
VINCENT JJ
DIXON SL
MERZ KM
Citation: Jj. Vincent et al., PARALLEL IMPLEMENTATION OF A DIVIDE-AND-CONQUER SEMIEMPIRICAL ALGORITHM, Theoretical chemistry accounts, 99(4), 1998, pp. 220-223
Authors:
NADIG G
VANZANT LC
DIXON SL
MERZ KM
Citation: G. Nadig et al., CHARGE-TRANSFER INTERACTIONS IN MACROMOLECULAR SYSTEMS - A NEW VIEW OF THE PROTEIN WATER INTERFACE/, Journal of the American Chemical Society, 120(22), 1998, pp. 5593-5594
Authors:
BEST SA
MERZ KM
REYNOLDS CH
Citation: Sa. Best et al., GB SA-BASED CONTINUUM SOLVATION MODEL FOR OCTANOL/, JOURNAL OF PHYSICAL CHEMISTRY B, 101(49), 1997, pp. 10479-10487
Authors:
MERZ KM
Citation: Km. Merz, MOLECULAR-DYNAMICS SIMULATIONS OF LIPID BILAYERS, Current opinion in structural biology, 7(4), 1997, pp. 511-517
Authors:
GLENNON TM
MERZ KM
Citation: Tm. Glennon et Km. Merz, A CARBOHYDRATE FORCE-FIELD FOR AMBER AND ITS APPLICATION TO THE STUDYOF SACCHARIDE TO SURFACE-ADSORPTION, Journal of molecular structure. Theochem, 395, 1997, pp. 157-171
Authors:
DIXON SL
MERZ KM
Citation: Sl. Dixon et Km. Merz, FAST, ACCURATE SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS FOR MACROMOLECULES, The Journal of chemical physics, 107(3), 1997, pp. 879-893
Authors:
CHENG AL
MERZ KM
Citation: Al. Cheng et Km. Merz, ICE-BINDING MECHANISM OF WINTER FLOUNDER ANTIFREEZE PROTEINS, Biophysical journal, 73(6), 1997, pp. 2851-2873
Authors:
MERZ KM
BANCI L
Citation: Km. Merz et L. Banci, BINDING OF BICARBONATE TO HUMAN CARBONIC-ANHYDRASE-II - A CONTINUUM OF BINDING STATES, Journal of the American Chemical Society, 119(5), 1997, pp. 863-871
Authors:
TOBA S
MERZ KM
Citation: S. Toba et Km. Merz, THE CONCEPT OF SOLVENT COMPATIBILITY AND ITS IMPACT ON PROTEIN STABILITY AND ACTIVITY ENHANCEMENT IN NONAQUEOUS SOLVENTS, Journal of the American Chemical Society, 119(42), 1997, pp. 9939-9948
Authors:
CHENG A
MERZ KM
Citation: A. Cheng et Km. Merz, ICE-BINDING MECHANISM OF THE ANTIFREEZE PROTEIN BY MD SIMULATIONS, Progress in Biophysics and Molecular Biology, 65, 1996, pp. 310-310
Authors:
CHENG AL
MERZ KM
Citation: Al. Cheng et Km. Merz, APPLICATION OF THE NOSE-HOOVER CHAIN ALGORITHM TO THE STUDY OF PROTEIN DYNAMICS, Journal of physical chemistry, 100(5), 1996, pp. 1927-1937
Authors:
MERZ KM
BANCI L
Citation: Km. Merz et L. Banci, BINDING OF AZIDE TO HUMAN CARBONIC-ANHYDRASE .2. THE ROLE ELECTROSTATIC COMPLEMENTARITY PLAYS IN SELECTING THE PREFERRED RESONANCE STRUCTURE OF AZIDE, Journal of physical chemistry, 100(43), 1996, pp. 17414-17420
Authors:
CHENG A
MERZ KM
Citation: A. Cheng et Km. Merz, THE PRESSURE AND PRESSURE TENSOR FOR MACROMOLECULAR SYSTEMS, Journal of physical chemistry, 100(2), 1996, pp. 905-908
Authors:
DIXON SL
MERZ KM
Citation: Sl. Dixon et Km. Merz, SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS WITH LINEAR-SYSTEM SIZE SCALING, The Journal of chemical physics, 104(17), 1996, pp. 6643-6649
Authors:
JACKMAN JE
MERZ KM
FIERKE CA
Citation: Je. Jackman et al., DISRUPTION OF THE ACTIVE-SITE SOLVENT NETWORK IN CARBONIC-ANHYDRASE-II DECREASES THE EFFICIENCY OF PROTON-TRANSFER, Biochemistry, 35(51), 1996, pp. 16421-16428
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
Authors:
TOBA S
HARTSOUGH DS
MERZ KM
Citation: S. Toba et al., SOLVATION AND DYNAMICS OF CHYMOTRYPSIN IN HEXANE, Journal of the American Chemical Society, 118(27), 1996, pp. 6490-6498
Authors:
VINCENT JJ
MERZ KM
Citation: Jj. Vincent et Km. Merz, A HIGHLY PORTABLE PARALLEL IMPLEMENTATION OF AMBER4 USING THE MESSAGE-PASSING INTERFACE STANDARD, Journal of computational chemistry, 16(11), 1995, pp. 1420-1427
Authors:
STANTON RV
HARTSOUGH DS
MERZ KM
Citation: Rv. Stanton et al., AN EXAMINATION OF A DENSITY-FUNCTIONAL MOLECULAR MECHANICAL COUPLED POTENTIAL, Journal of computational chemistry, 16(1), 1995, pp. 113-128
Authors:
STANTON RV
LITTLE LR
MERZ KM
Citation: Rv. Stanton et al., AN EXAMINATION OF A HARTREE-FOCK MOLECULAR MECHANICAL COUPLED POTENTIAL, Journal of physical chemistry, 99(48), 1995, pp. 17344-17348
Authors:
HARTSOUGH DS
MERZ KM
Citation: Ds. Hartsough et Km. Merz, DYNAMIC FORCE-FIELD MODELS - MOLECULAR-DYNAMICS SIMULATIONS OF HUMAN CARBONIC-ANHYDRASE-II USING A QUANTUM-MECHANICAL MOLECULAR MECHANICAL COUPLED POTENTIAL, Journal of physical chemistry, 99(28), 1995, pp. 11266-11275
Authors:
STANTON RV
DIXON SL
MERZ KM
Citation: Rv. Stanton et al., GENERAL FORMULATION FOR A QUANTUM FREE-ENERGY PERTURBATION STUDY, Journal of physical chemistry, 99(27), 1995, pp. 10701-10704
Authors:
STANTON RV
LITTLE LR
MERZ KM
Citation: Rv. Stanton et al., QUANTUM FREE-ENERGY PERTURBATION STUDY WITHIN A PM3-MM COUPLED POTENTIAL, Journal of physical chemistry, 99(2), 1995, pp. 483-486
Authors:
STEEL EA
MERZ KM
SELINGER A
CASTLEMAN AW
Citation: Ea. Steel et al., MASS-SPECTRAL AND COMPUTATIONAL FREE-ENERGY STUDIES OF ALKALI-METAL ION-CONTAINING WATER CLUSTERS, Journal of physical chemistry, 99(19), 1995, pp. 7829-7836
Authors:
HARTSOUGH DS
MERZ KM
Citation: Ds. Hartsough et Km. Merz, POTENTIAL OF MEAN FORCE CALCULATIONS ON THE S(N)1 FRAGMENTATION OF TERT-BUTYL CHLORIDE, Journal of physical chemistry, 99(1), 1995, pp. 384-390