Pages that link to "Q71260840"
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The following pages link to Refinement of protein conformations using a macromolecular energy minimization procedure (Q71260840):
Displaying 50 items.
- CHARMM: the biomolecular simulation program (Q24658108) (← links)
- Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics (Q26749162) (← links)
- The atomic structure of crystalline porcine pancreatic elastase at 2.5 Å resolution: Comparisons with the structure of α-chymotrypsin (Q27729132) (← links)
- Crystallographic refinement and atomic models of a human Fc fragment and its complex with fragment B of protein A from Staphylococcus aureus at 2.9- and 2.8-A resolution (Q27729251) (← links)
- HYDROGEN BOND AND INTERNAL SOLVENT DYNAMICS OF BPTI PROTEIN (Q27788711) (← links)
- Ab initio construction of protein tertiary structures using a hierarchical approach (Q28139024) (← links)
- Protein Crystal Structures: Quicker, Cheaper Approaches (Q28205656) (← links)
- Spinach on the ceiling: a theoretical chemist's return to biology (Q28239566) (← links)
- The interpretation of protein structures: Total volume, group volume distributions and packing density (Q28245924) (← links)
- Integrating the equations of motion (Q28262674) (← links)
- A simplified representation of protein conformations for rapid simulation of protein folding (Q28269973) (← links)
- Consistent refinement of submitted models at CASP using a knowledge-based potential (Q28286468) (← links)
- Profile of Martin Karplus, Michael Levitt, and Arieh Warshel, 2013 nobel laureates in chemistry (Q28302785) (← links)
- Structural optimization and de novo design of dengue virus entry inhibitory peptides (Q28474595) (← links)
- Computational fragment-based binding site identification by ligand competitive saturation (Q28475699) (← links)
- Consistent Force Field Calculations. II. Crystal Structures, Sublimation Energies, Molecular and Lattice Vibrations, Molecular Conformations, and Enthalpies of Alkanes (Q29039846) (← links)
- GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit (Q29615867) (← links)
- Super-resolution biomolecular crystallography with low-resolution data (Q29616381) (← links)
- A step toward the prediction of the fluorescence lifetimes of tryptophan residues in proteins based on structural and spectral data. (Q30326440) (← links)
- Dynamics of the aromatic amino acid residues in the globular conformation of the basic pancreatic trypsin inhibitor (BPTI). II. Semi-empirical energy calculations (Q30326900) (← links)
- Constructing side chains on near-native main chains for ab initio protein structure prediction. (Q30327021) (← links)
- Near-native structure refinement using in vacuo energy minimization. (Q30360455) (← links)
- Metal Ion Modeling Using Classical Mechanics (Q30363020) (← links)
- Solvent dramatically affects protein structure refinement. (Q30373863) (← links)
- A quality metric for homology modeling: the H-factor. (Q30399307) (← links)
- The energy computation paradox and ab initio protein folding (Q30402305) (← links)
- KoBaMIN: a knowledge-based minimization web server for protein structure refinement (Q30416490) (← links)
- Computer simulations of protein functions: searching for the molecular origin of the replication fidelity of DNA polymerases (Q30475845) (← links)
- Activation of cell division protein FtsZ. Control of switch loop T3 conformation by the nucleotide gamma-phosphate (Q31888195) (← links)
- Tyr66 acts as a conformational switch in the closed-to-open transition of the SHP-2 N-SH2-domain phosphotyrosine-peptide binding cleft. (Q33279689) (← links)
- Automated conformational energy fitting for force-field development. (Q33331891) (← links)
- Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptides (Q33465189) (← links)
- Accurate simulation of protein dynamics in solution (Q33654761) (← links)
- A new model for DNA containing A.T and I.C base pairs (Q33928341) (← links)
- Explicit polarization (X-Pol) potential using ab initio molecular orbital theory and density functional theory (Q33946765) (← links)
- How many base-pairs per turn does DNA have in solution and in chromatin? Some theoretical calculations (Q33959935) (← links)
- Quantum-mechanical calculations of the potential energy surfaces of triplet states (Q34006108) (← links)
- Computer simulation of protein folding (Q34099184) (← links)
- Targeting of an interrupted polypurine:polypyrimidine sequence in mammalian cells by a triplex-forming oligonucleotide containing a novel base analogue (Q34110769) (← links)
- Explicit polarization: a quantum mechanical framework for developing next generation force fields (Q34193920) (← links)
- Birth and future of multiscale modeling for macromolecular systems (Nobel Lecture). (Q34432654) (← links)
- Water properties from first principles: simulations by a general-purpose quantum mechanical polarizable force field (Q34628033) (← links)
- Inclusion of multiple fragment types in the site identification by ligand competitive saturation (SILCS) approach (Q35045753) (← links)
- Sidechain torsional potentials and motion of amino acids in porteins: bovine pancreatic trypsin inhibitor (Q35080189) (← links)
- Refinement of the X-ray Structure of Rubredoxin by Conformational Energy Calculations (Q35114158) (← links)
- Microwave-assisted synthesis of gold nanoparticles self-assembled into self-supported superstructures (Q35530950) (← links)
- Structure/function correlations of proteins using MM, QM/MM, and related approaches: methods, concepts, pitfalls, and current progress (Q35590761) (← links)
- Unusual sequence effects on nucleotide excision repair of arylamine lesions: DNA bending/distortion as a primary recognition factor (Q36559300) (← links)
- Estimation of ligand efficacies of metabotropic glutamate receptors from conformational forces obtained from molecular dynamics simulations. (Q36958036) (← links)
- Quantum mechanical force field for water with explicit electronic polarization (Q37106162) (← links)