| scholarly article | Q13442814 |
| P356 | DOI | 10.1016/S0022-2836(05)80155-X |
| P50 | author | Martin Karplus | Q903471 |
| P2093 | author name string | A.D. MacKerell | |
| M.S. Sommer | |||
| P2860 | cites work | Comparison of simple potential functions for simulating liquid water | Q26778447 |
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| Crystal structure of guanosine-free ribonuclease T1, complexed with vanadate (V), suggests conformational change upon substrate binding | Q27694805 | ||
| Enzyme catalysis: not different, just better | Q28269755 | ||
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| pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model | Q29302657 | ||
| Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes | Q29397708 | ||
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| Structure-function relationships in the cysteine proteinases actinidin, papain and papaya proteinase omega. Three-dimensional structure of papaya proteinase omega deduced by knowledge-based modelling and active-centre characteristics determined by t | Q33281473 | ||
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| The Intrinsic PkA-Values of Functional Groups in Enzymes: Improper Deductions from the Ph-Dependence of Steady-State Parameter | Q35197220 | ||
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| Spectrophotometric titration of a single carboxyl group at the active site of ribonuclease T1 | Q39167807 | ||
| Subsites and catalytic mechanism of ribonuclease T1: kinetic studies using GpA, GpC, GpG, and GpU as substrates | Q39217037 | ||
| Proton and phosphorus nuclear magnetic resonance studies of ribonuclease T1 | Q39237288 | ||
| Hydrogen-Tritium Exchange Titration of the Histidine Residues in Ribonuclease T1 and Analysis of Their Microenvironments1 | Q39683570 | ||
| Anaysis of cooperativity in hemoglobin. Valency hybrids, oxidation, and methemoglobin replacement reactions | Q40315079 | ||
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| Molecular dynamics simulations of ribonuclease T1: comparison of the free enzyme and the 2' GMP-enzyme complex | Q41810800 | ||
| Thermodynamic analysis of the equilibrium, association and dissociation of 2'GMP and 3'GMP with ribonuclease T1 at pH 5.3. | Q43569608 | ||
| Contribution of histidine residues to the conformational stability of ribonuclease T1 and mutant Glu-58----Ala | Q45144988 | ||
| Histidine-40 of ribonuclease T1 acts as base catalyst when the true catalytic base, glutamic acid-58, is replaced by alanine | Q45152385 | ||
| Electrostatic effects and hydrogen exchange behaviour in proteins. The pH dependence of exchange rates in lysozyme | Q46580860 | ||
| An all atom force field for simulations of proteins and nucleic acids | Q46625508 | ||
| Interaction of guanine ligands with ribonuclease T1 | Q47937461 | ||
| Subsite interactions of ribonuclease T1: viscosity effects indicate that the rate-limiting step of GpN transesterification depends on the nature of N. | Q49169569 | ||
| Subsite interactions of ribonuclease T1: Asn36 and Asn98 accelerate GpN transesterification through interactions with the leaving nucleoside N. | Q49169572 | ||
| Molecular recognition in proteins. Simulation analysis of substrate binding by a tyrosyl-tRNA synthetase mutant. | Q50150501 | ||
| Free energy simulations: the meaning of the individual contributions from a component analysis. | Q52372238 | ||
| On the pH dependence of protein stability. | Q52395990 | ||
| Simulation analysis of the stability mutant R96H of T4 lysozyme. | Q52451866 | ||
| Prediction of electrostatic effects of engineering of protein charges. | Q52584895 | ||
| CHARMM: A program for macromolecular energy, minimization, and dynamics calculations | Q53340989 | ||
| Fluorescence titrations of residue 59 and tyrosine in Kyn 59-RNase T1 and NFK 59-RNase T1. | Q53971270 | ||
| Modification of Glu 58, an amino acid of the active center of ribonuclease T1, to Gln and Asp. | Q54777758 | ||
| High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases | Q56745022 | ||
| Thermodynamics of protein-peptide interactions in the ribonuclease-S system studied by molecular dynamics and free energy calculations | Q57000524 | ||
| Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison | Q57000556 | ||
| Electrostatic effects of charge perturbations introduced by metal oxidation in proteins. A theoretical analysis | Q57138687 | ||
| Restrained least-squares refinement of the crystal structure of the ribonuclease T1*2'-guanylic acid complex at 1·9 Å resolution | Q57973637 | ||
| Protein dynamics | Q58846815 | ||
| Calculation of electrostatic potentials in an enzyme active site | Q59067672 | ||
| Studies on RNase T1 mutants affecting enzyme catalysis | Q67986174 | ||
| Relationships between apparent binding energies measured in site-directed mutagenesis experiments and energetics of binding and catalysis | Q68343033 | ||
| Binding modes of inhibitors of ribonuclease T1 as elucidated by analysis of two-dimensional NMR | Q68459144 | ||
| Free energy of charges in solvated proteins: microscopic calculations using a reversible charging process | Q68987629 | ||
| A mathematical model for structure-function relations in hemoglobin | Q69405790 | ||
| The structure and function of ribonuclease T1. 18. Gel filtration studies on the interaction of ribonuclease T1 with substrate analogs | Q69436258 | ||
| Hidden thermodynamics of mutant proteins: a molecular dynamics analysis | Q69621171 | ||
| Calculation of electrostatic interactions in proteins | Q69647510 | ||
| Solvent effects on protein motion and protein effects on solvent motion. Dynamics of the active site region of lysozyme | Q69703244 | ||
| Calculation of the relative change in binding free energy of a protein-inhibitor complex | Q69736806 | ||
| Binding modes of inhibitors to ribonuclease T1 as studied by nuclear magnetic resonance | Q69945030 | ||
| Three-dimensional structure of the ribonuclease T1 X 3'-guanylic acid complex at 2.6 A resolution | Q70080941 | ||
| Computer simulation and analysis of the reaction pathway of triosephosphate isomerase | Q70176138 | ||
| Interpretation of protein titration curves. Application to lysozyme | Q70377302 | ||
| Two histidine residues are essential for ribonuclease T1 activity as is the case for ribonuclease A | Q70380510 | ||
| Ribonuclease T 1. Spectrophotometric investigations of the interaction of the enzyme with substrate analogues | Q70401313 | ||
| Multiple-site titration and molecular modeling: two rapid methods for computing energies and forces for ionizable groups in proteins | Q70618652 | ||
| Titration of ribonuclease T1 | Q71225086 | ||
| Calculation of the electric potential in the active site cleft due to alpha-helix dipoles | Q72952190 | ||
| A new force field for molecular mechanical simulation of nucleic acids and proteins | Q107980616 | ||
| P433 | issue | 4 | |
| P407 | language of work or name | English | Q1860 |
| P1104 | number of pages | 34 | |
| P304 | page(s) | 774-807 | |
| P577 | publication date | 1995-04-01 | |
| P1433 | published in | Journal of Molecular Biology | Q925779 |
| P1476 | title | pH Dependence of binding reactions from free energy simulations and macroscopic continuum electrostatic calculations: Application to 2′GMP/3′GMP binding to ribonuclease T1 and implications for catalysis | |
| P478 | volume | 247 |
| Q41504987 | A new class of models for computing receptor-ligand binding affinities |
| Q61860680 | A pH-dependent model of the activation mechanism of the histamine H2 receptor |
| Q43596202 | Engineering the pH-optimum of a triglyceride lipase: from predictions based on electrostatic computations to experimental results |
| Q39037535 | In silico modeling of pH-optimum of protein-protein binding |
| Q57136170 | Intrinsic protein electric fields: basic non-covalent interactions and relationship to protein-induced Stark effects |
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