Published in J Mol Biol on July 20, 1993
Hyperthermophilic enzymes: sources, uses, and molecular mechanisms for thermostability. Microbiol Mol Biol Rev (2001) 5.34
Molecular dynamics simulations of unfolding and refolding of a beta-hairpin fragment of protein G. Proc Natl Acad Sci U S A (1999) 3.61
Folding funnels and frustration in off-lattice minimalist protein landscapes. Proc Natl Acad Sci U S A (1998) 3.08
Characterization of the transition state of protein unfolding by use of molecular dynamics: chymotrypsin inhibitor 2. Proc Natl Acad Sci U S A (1994) 3.03
A molecular dynamics study of the 41-56 beta-hairpin from B1 domain of protein G. Protein Sci (1999) 1.62
Study of the stability and unfolding mechanism of BBA1 by molecular dynamics simulations at different temperatures. Protein Sci (1999) 1.51
On the simulation of protein folding by short time scale molecular dynamics and distributed computing. Proc Natl Acad Sci U S A (2002) 1.39
Dynamics and unfolding pathways of a hyperthermophilic and a mesophilic rubredoxin. Protein Sci (1997) 1.25
Molecular dynamics simulations of hydrophobic collapse of ubiquitin. Protein Sci (1998) 1.25
Characterization of protein-folding pathways by reduced-space modeling. Proc Natl Acad Sci U S A (2007) 1.24
On the temperature and pressure dependence of a range of properties of a type of water model commonly used in high-temperature protein unfolding simulations. Biophys J (2000) 1.12
Differences in hydration structure near hydrophobic and hydrophilic amino acids. Biophys J (1997) 1.01
Dynamics of lysozyme structure network: probing the process of unfolding. Biophys J (2007) 0.97
Crystal structure of the hyperthermophilic inorganic pyrophosphatase from the archaeon Pyrococcus horikoshii. Biophys J (2004) 0.94
Implementation of molecular dynamics and its extensions with the coarse-grained UNRES force field on massively parallel systems; towards millisecond-scale simulations of protein structure, dynamics, and thermodynamics. J Chem Theory Comput (2010) 0.89
Molecular dynamics as a tool to detect protein foldability. A mutant of domain B1 of protein G with non-native secondary structure propensities. Protein Sci (1999) 0.88
Mechanism of formation of the C-terminal beta-hairpin of the B3 domain of the immunoglobulin-binding protein G from Streptococcus. IV. Implication for the mechanism of folding of the parent protein. Biopolymers (2010) 0.88
Improved thermostability of Clostridium thermocellum endoglucanase Cel8A by using consensus-guided mutagenesis. Appl Environ Microbiol (2012) 0.88
Crystal structure of hyperthermophilic endo-β-1,4-glucanase: implications for catalytic mechanism and thermostability. J Biol Chem (2011) 0.87
Propeptides are sufficient to regulate organelle-specific pH-dependent activation of furin and proprotein convertase 1/3. J Mol Biol (2012) 0.87
The mechanism by which a propeptide-encoded pH sensor regulates spatiotemporal activation of furin. J Biol Chem (2013) 0.86
Early events in the disulfide-coupled folding of BPTI. Protein Sci (1999) 0.85
Why is Leu55-->Pro55 transthyretin variant the most amyloidogenic: insights from molecular dynamics simulations of transthyretin monomers. Protein Sci (2003) 0.83
Factors governing loss and rescue of DNA binding upon single and double mutations in the p53 core domain. Nucleic Acids Res (2002) 0.83
Defining the nature of thermal intermediate in 3 state folding proteins: apoflavodoxin, a study case. PLoS Comput Biol (2012) 0.80
Characterization of protein unfolding with solid-state nanopores. Protein Pept Lett (2014) 0.79
Computational study of unfolding and regulation mechanism of preQ1 riboswitches. PLoS One (2012) 0.79
High temperature unfolding of a truncated hemoglobin by molecular dynamics simulation. J Mol Model (2013) 0.78
Unfolding simulations of holomyoglobin from four mammals: identification of intermediates and β-sheet formation from partially unfolded states. PLoS One (2013) 0.77
Insights from molecular dynamics simulations for computational protein design. Mol Syst Des Eng (2017) 0.75
The role of Cys179-Cys214 disulfide bond in the stability and folding of prion protein: insights from molecular dynamics simulations. J Mol Model (2014) 0.75
Decoding Structural Properties of a Partially Unfolded Protein Substrate: En Route to Chaperone Binding. PLoS Comput Biol (2015) 0.75
The ASTRAL compendium for protein structure and sequence analysis. Nucleic Acids Res (2000) 11.38
Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme. J Mol Biol (1976) 9.91
p53: a frequent target for genetic abnormalities in lung cancer. Science (1989) 7.51
A simplified representation of protein conformations for rapid simulation of protein folding. J Mol Biol (1976) 7.06
Structure of nucleosome core particles of chromatin. Nature (1977) 6.24
Structural patterns in globular proteins. Nature (1976) 5.95
Studies on the mechanism of action of nalidixic acid. Antimicrob Agents Chemother (1973) 5.64
Computer simulation of protein folding. Nature (1975) 5.34
Conformations of immunoglobulin hypervariable regions. Nature (1990) 5.31
Protein normal-mode dynamics: trypsin inhibitor, crambin, ribonuclease and lysozyme. J Mol Biol (1985) 4.56
Helix to helix packing in proteins. J Mol Biol (1981) 4.24
Conformational preferences of amino acids in globular proteins. Biochemistry (1978) 4.00
Desire for death in the terminally ill. Am J Psychiatry (1995) 3.87
Energy functions that discriminate X-ray and near native folds from well-constructed decoys. J Mol Biol (1996) 3.86
Detailed molecular model for transfer ribonucleic acid. Nature (1969) 3.81
Measuring the quality of life of cancer patients: the Functional Living Index-Cancer: development and validation. J Clin Oncol (1984) 3.76
How many base-pairs per turn does DNA have in solution and in chromatin? Some theoretical calculations. Proc Natl Acad Sci U S A (1978) 3.55
Refinement of protein conformations using a macromolecular energy minimization procedure. J Mol Biol (1969) 3.21
The PRESAGE database for structural genomics. Nucleic Acids Res (1999) 3.03
Comprehensive assessment of automatic structural alignment against a manual standard, the scop classification of proteins. Protein Sci (1998) 2.60
Structure of proteins: packing of alpha-helices and pleated sheets. Proc Natl Acad Sci U S A (1977) 2.60
Structural similarity of DNA-binding domains of bacteriophage repressors and the globin core. Curr Biol (1993) 2.53
Protein folding by restrained energy minimization and molecular dynamics. J Mol Biol (1983) 2.51
Molecular dynamics of native protein. II. Analysis and nature of motion. J Mol Biol (1983) 2.29
Automatic identification of secondary structure in globular proteins. J Mol Biol (1977) 2.25
Energy refinement of hen egg-white lysozyme. J Mol Biol (1974) 2.24
A humanized antibody that binds to the interleukin 2 receptor. Proc Natl Acad Sci U S A (1989) 2.23
Stabilization of phage T4 lysozyme by engineered disulfide bonds. Proc Natl Acad Sci U S A (1989) 2.17
Decoys 'R' Us: a database of incorrect conformations to improve protein structure prediction. Protein Sci (2000) 2.10
Ab initio construction of protein tertiary structures using a hierarchical approach. J Mol Biol (2000) 2.05
Molecular dynamics simulation of photodissociation of carbon monoxide from hemoglobin. Proc Natl Acad Sci U S A (1985) 1.94
A brighter future for protein structure prediction. Nat Struct Biol (1999) 1.93
Molecular dynamics simulations of helix denaturation. J Mol Biol (1992) 1.92
The volume of atoms on the protein surface: calculated from simulation, using Voronoi polyhedra. J Mol Biol (1995) 1.92
Periodicity of deoxyribonuclease I digestion of chromatin. Science (1979) 1.90
Molecular dynamics of native protein. I. Computer simulation of trajectories. J Mol Biol (1983) 1.87
The complexity and accuracy of discrete state models of protein structure. J Mol Biol (1995) 1.86
Recognizing native folds by the arrangement of hydrophobic and polar residues. J Mol Biol (1995) 1.85
Factors affecting the ability of energy functions to discriminate correct from incorrect folds. J Mol Biol (1997) 1.84
Computer simulation of DNA double-helix dynamics. Cold Spring Harb Symp Quant Biol (1983) 1.81
Climate change and the integrity of science. Science (2010) 1.80
A lattice model for protein structure prediction at low resolution. Proc Natl Acad Sci U S A (1992) 1.80
The predicted structure of immunoglobulin D1.3 and its comparison with the crystal structure. Science (1986) 1.68
Expectations from structural genomics. Protein Sci (2000) 1.65
Accurate prediction of the stability and activity effects of site-directed mutagenesis on a protein core. Nature (1991) 1.65
Exploring conformational space with a simple lattice model for protein structure. J Mol Biol (1994) 1.63
A model of the molten globule state from molecular dynamics simulations. Proc Natl Acad Sci U S A (1992) 1.56
Quantification of the hydrophobic interaction by simulations of the aggregation of small hydrophobic solutes in water. Proc Natl Acad Sci U S A (2001) 1.55
A new class of tyrosine hydroxylase inhibitors and a simple assay of inhibition in vivo. Biochem Pharmacol (1967) 1.54
De novo protein design. II. Plasticity in sequence space. J Mol Biol (1999) 1.53
Realistic simulations of native-protein dynamics in solution and beyond. Annu Rev Biophys Biomol Struct (1993) 1.46
A structural census of the current population of protein sequences. Proc Natl Acad Sci U S A (1997) 1.44
Discontinuation of antistreptococcal prophylaxis. A double-blind study in rheumatic patients free of heart disease. JAMA (1966) 1.42
Using iterative dynamic programming to obtain accurate pairwise and multiple alignments of protein structures. Proc Int Conf Intell Syst Mol Biol (1996) 1.41
Making up inotrope solutions. Anaesthesia (1992) 1.39
Molecular dynamics of hydrogen bonds in bovine pancreatic trypsin inhibitor protein. Nature (1981) 1.38
Pre-operative chemo-radiotherapy in locally advanced rectal cancer: is this the way of future management? Australas Radiol (1999) 1.38
Practice parameters for the management of colonic cancer I: surgical issues. Recommendations of the Colorectal Surgical Society of Australia. Aust N Z J Surg (1999) 1.38
Superiority of alternating non-cross-resistant chemotherapy in extensive small cell lung cancer. A multicenter, randomized clinical trial by the National Cancer Institute of Canada. Ann Intern Med (1987) 1.38
De novo protein design. I. In search of stability and specificity. J Mol Biol (1999) 1.37
Alignment of the amino acid sequences of distantly related proteins using variable gap penalties. Protein Eng (1989) 1.34
Effect of proline residues on protein folding. J Mol Biol (1981) 1.33
Integrating the equations of motion. J Mol Biol (1983) 1.29
Using a hydrophobic contact potential to evaluate native and near-native folds generated by molecular dynamics simulations. J Mol Biol (1996) 1.26
Ab initio protein structure prediction using a combined hierarchical approach. Proteins (1999) 1.26
Hierarchy of structure loss in MD simulations of src SH3 domain unfolding. J Mol Biol (1999) 1.24
Comparison of predicted and experimentally determined secondary structure of adenyl kinase. Nature (1974) 1.21
The role of tonsils in predisposing to streptococcal infections and recurrences of rheumatic fever. N Engl J Med (1970) 1.17
Structure-based conformational preferences of amino acids. Proc Natl Acad Sci U S A (1999) 1.13
Finite-difference solution of the Poisson-Boltzmann equation: Complete elimination of self-energy. J Comput Chem (1996) 1.12
Protein conformation, dynamics, and folding by computer simulation. Annu Rev Biophys Bioeng (1982) 1.12
A combined approach for ab initio construction of low resolution protein tertiary structures from sequence. Pac Symp Biocomput (1999) 1.11
Constructing side chains on near-native main chains for ab initio protein structure prediction. Protein Eng (2000) 1.09
Orientation of double-helical segments in crystals of yeast phenylalanine transfer RNA. J Mol Biol (1973) 1.07
Lactate provocation of panic attacks. I. Clinical and behavioral findings. Arch Gen Psychiatry (1984) 1.06
Compounds affecting the central nervous system. 4. 3 Beta-phenyltropane-2-carboxylic esters and analogs. J Med Chem (1973) 1.05
The nonerythropoietic component of early bilirubin. J Clin Invest (1968) 1.05
Treatment of chronic anal fissure with topical glyceryl trinitrate. Dis Colon Rectum (1999) 1.04
Neutrophilia-inducing activity in plasma of neutropenic human beings. Blood (1971) 1.02
Production and elimination of sulfur-containing gases in the rat colon. Am J Physiol (1998) 1.01
Rubidium: biochemical, behavioral, and metabolic studies in humans. Am J Psychiatry (1973) 1.00
Protein decoy assembly using short fragments under geometric constraints. Biopolymers (2003) 0.99
Improved therapeutic index of methotrexate with "leucovorin rescue". Cancer Res (1973) 0.99
Simulating the minimum core for hydrophobic collapse in globular proteins. Protein Sci (1997) 0.99
Genetic screening and ethics: European perspectives. J Med Philos (1998) 0.98
Energy expenditure in obesity in fasting and postprandial state. Am J Physiol (1983) 0.98
Induced peptide conformations in different antibody complexes: molecular modeling of the three-dimensional structure of peptide-antibody complexes using NMR-derived distance restraints. Biochemistry (1992) 0.97
Different protein sequences can give rise to highly similar folds through different stabilizing interactions. Protein Sci (1994) 0.97
A novel method for sampling alpha-helical protein backbones. J Mol Biol (2001) 0.97
The ethics and impact on behaviour of knowledge about one's own genome. Interview by Judy Jones. BMJ (1999) 0.97
Homosexuality and the Israel defense forces: did lifting the gay ban undermine military performance? Armed Forces Soc (2001) 0.96
Folding and stability of helical proteins: carp myogen. J Mol Biol (1976) 0.95
Towards a complete map of the protein space based on a unified sequence and structure analysis of all known proteins. Proc Int Conf Intell Syst Mol Biol (2000) 0.95
Prophylaxis of recurrent rheumatic fever. Therapeutic-continuous oral penicillin vs monthly injections. JAMA (1968) 0.95
Conversion of L-tyrosine to 3,4-dihydroxyphenylalanine by cell-free preparations of brain and sympathetically innervated tissues. Biochem Biophys Res Commun (1964) 0.95
Insights into human colonic physiology obtained from the study of flatus composition. Am J Physiol (1997) 0.94
Reduction of cardiac tyrosine hydroxylase activity in experimental congestive heart failure. Its role in the depletion of cardiac norepinephrine stores. Circ Res (1967) 0.93
Contribution of tryptophan residues to the combining site of a monoclonal anti dinitrophenyl spin-label antibody. Biochemistry (1987) 0.93
Differentiation of mouth versus gut as site of origin of odoriferous breath gases after garlic ingestion. Am J Physiol (1999) 0.92