Prediction of protein side-chain rotamers from a backbone-dependent rotamer library: a new homology modeling tool

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

1983 • 14,615 citations

Improved tools for biological sequence comparison.

1988 • 11,455 citations

The protein data bank: A computer-based archival file for macromolecular structures

1977 • 8,627 citations

THE USE OF CONFIDENCE OR FIDUCIAL LIMITS ILLUSTRATED IN THE CASE OF THE BINOMIAL

1934 • 4,169 citations

Primer of biostatistics

1981 • 2,697 citations

[5] Rapid and sensitive sequence comparison with FASTP and FASTA

1990 • 1,983 citations

Stereochemical quality of protein structure coordinates

1992 • 1,503 citations

Tertiary templates for proteins

1987 • 1,485 citations

Principles of protein structure

1980 • 1,094 citations

Principles of Protein Structure

1979 • 1,090 citations

Backbone-dependent Rotamer Library for Proteins Application to Side-chain Prediction

1993 • 910 citations

Conformation of amino acid side-chains in proteins

1978 • 777 citations

The dead-end elimination theorem and its use in protein side-chain positioning

1992 • 698 citations

Knowledge-based prediction of protein structures and the design of novel molecules

1987 • 653 citations

Crystal structure of the Cys2 activator-binding domain of protein kinase Cδ in complex with phorbol ester

1995 • 643 citations

Accurate modeling of protein conformation by automatic segment matching

1992 • 558 citations

A possible three-dimensional structure of bovine α-lactalbumin based on that of hen's egg-white lysozyme

1969 • 517 citations

Analysis of the relationship between side-chain conformation and secondary structure in globular proteins

1987 • 422 citations

Structure and refinement of penicillopepsin at 1.8 Å resolution

1983 • 405 citations

Knowledge based modelling of homologous proteins, part I: three-dimensional frameworks derived from the simultaneous superposition of multiple structures

1987 • 394 citations

Application of a Self-consistent Mean Field Theory to Predict Protein Side-chains Conformation and Estimate Their Conformational Entropy

1994 • 355 citations

A New Approach to the Rapid Determination of Protein Side Chain Conformations

1991 • 345 citations

Conformational analysis of the backbone-dependent rotamer preferences of protein sidechains

1994 • 342 citations

Side-chain torsional potentials: effect of dipeptide, protein, and solvent environment

1979 • 294 citations

Statistical and energetic analysis of side‐chain conformations in oligopeptides

1983 • 238 citations

Knowledge based modelling of homologous proteins, part II: rules for the conformations of substituted sidechains

1987 • 233 citations

A mutant T4 lysozyme displays five different crystal conformations

1990 • 231 citations

Prediction of protein side-chain conformation by packing optimization

1991 • 228 citations

Rotamers: To be or not to be?

1993 • 223 citations

AN ANALYSIS OF SIDE‐CHAIN CONFORMATION IN PROTEINS*

1979 • 159 citations

Rotational barriers. 2. Energies of alkane rotamers. An examination of gauche interactions

1988 • 155 citations

Fast and simple monte carlo algorithm for side chain optimization in proteins: Application to model building by homology

1992 • 154 citations

A structural explanation for the twilight zone of protein sequence homology

1996 • 145 citations

Analysis of side-chain orientations in homologous proteins

1987 • 131 citations

A Method to Configure Protein Side-chains from the Main-chain Trace in Homology Modelling

1993 • 110 citations

Low-frequency Raman spectrum and asymmetric potential function for internal rotation of gaseous n-butane

1980 • 106 citations

Modeling Side-chain Conformation for Homologous Proteins Using an Energy-based Rotamer Search

1993 • 95 citations

Construction of side-chains in homology modelling

1989 • 93 citations

Modeling side-chain conformation

1996 • 87 citations

Analysis of torsional spectra of molecules with two internal C3v rotors. 12. Low frequency vibrational spectra, methyl torsional potential function, and internal rotation of n-butane

1979 • 85 citations

The fuzzy-end elimination theorem: correctly implementing the side chain placement algorithm based on the dead-end elimination theorem

1993 • 82 citations

STUDIES ON THE CONFORMATION OF AMINO ACIDS

1970 • 75 citations

Evaluation of current techniques for Ab initio protein structure prediction

1995 • 75 citations

Variability of conformations at crystal contacts in BPTI represent true low‐energy structures: Correspondence among lattice packing and molecular dynamics structures

1992 • 69 citations

A critical comparison of search algorithms applied to the optimization of protein side‐chain conformations

1993 • 68 citations

An evaluvation of discrete and continuum search techniques for conformational analysis of side chains in proteins

1995 • 67 citations

Side-chain prediction by neural networks and simulated annealing optimization

1995 • 61 citations

Determinants of protein side‐chain packing

1994 • 59 citations

Prediction of Protein Side-chain Conformations from Local Three-dimensional Homology Relationships

1994 • 54 citations

Modeling protein structures: construction and their applications

1993 • 47 citations

Modeling protein—ligand complexes

1996 • 44 citations

Studies on the conformation of amino acids X. Conformations of norvalyl, leucyl and aromatic side groups in a dipeptide unit

1971 • 42 citations

Energy minimization method using automata network for sequence and side‐chain conformation prediction from given backbone geometry

1994 • 41 citations

Prediction and evaluation of side-chain conformations for protein backbone structures

1996 • 41 citations

Comparison of the structures and the crystal contacts of trypanosomal triosephosphate isomerase in four different crystal forms

1994 • 24 citations

Sprouting side chain conformations in X‐PLOR simulations of peptides

1993 • 11 citations

Backbone and side‐chain conformations of amino acids and amino acid residues in peptides

1970 • 9 citations