(Q46243050)

20 December 2017

title

The Iterative Protein Redesign and Optimization (IPRO) suite of programs (English)

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20 December 2017

author

Costas D. Maranas

5

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20 December 2017

author name string

Robert J Pantazes

1

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20 December 2017

Matthew J Grisewood

2

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20 December 2017

Tong Li

3

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20 December 2017

Nathanael P Gifford

4

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20 December 2017

publication date

2 December 2014

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20 December 2017

Journal of Computational Chemistry

published in

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20 December 2017

volume

36

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20 December 2017

issue

4

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20 December 2017

page(s)

251-263

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20 December 2017

Factors influencing cellulosome activity in consolidated bioprocessing of cellulosic ethanol

cites work

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Therapeutic antibodies: past, present and future.

21 January 2018

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Protein engineering 20 years on.

21 January 2018

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Recent advances in computational protein design.

21 January 2018

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Structure-guided SCHEMA recombination of distantly related beta-lactamases

21 January 2018

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Identifying residue–residue clashes in protein hybrids by using a second-order mean-field approach

21 January 2018

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Structure-guided recombination creates an artificial family of cytochromes P450.

21 January 2018

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Optimal protein library design using recombination or point mutations based on sequence-based scoring functions

21 January 2018

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Using a residue clash map to functionally characterize protein recombination hybrids.

21 January 2018

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Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction

21 January 2018

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Enzyme-like proteins by computational design

21 January 2018

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Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis

21 January 2018

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Exploring challenges in rational enzyme design by simulating the catalysis in artificial kemp eliminase

21 January 2018

1 reference

De novo computational design of retro-aldol enzymes

21 January 2018

1 reference

Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis

21 January 2018

1 reference

Alteration of enzyme specificity by computational loop remodeling and design

21 January 2018

1 reference

Iterative approach to computational enzyme design

21 January 2018

1 reference

Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

21 January 2018

1 reference

Free-energy perturbation simulation on transition states and redesign of butyrylcholinesterase

21 January 2018

1 reference

New algorithms and an in silico benchmark for computational enzyme design

21 January 2018

1 reference

OSPREY: protein design with ensembles, flexibility, and provable algorithms

21 January 2018

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Potential energy functions for protein design.

21 January 2018

1 reference

Computational redesign of endonuclease DNA binding and cleavage specificity

21 January 2018

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Computational design of protein-protein interactions

21 January 2018

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De novo protein design: fully automated sequence selection

21 January 2018

1 reference

Design of a Novel Globular Protein Fold with Atomic-Level Accuracy

21 January 2018

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Kemp elimination catalysts by computational enzyme design

21 January 2018

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Computational structure-based redesign of enzyme activity

21 January 2018

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An exciting but challenging road ahead for computational enzyme design

21 January 2018

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Progress in computational protein design

21 January 2018

1 reference

Extending Iterative Protein Redesign and Optimization (IPRO) in protein library design for ligand specificity

21 January 2018

1 reference

IPRO: an iterative computational protein library redesign and optimization procedure

21 January 2018

1 reference

Computational design of Candida boidinii xylose reductase for altered cofactor specificity

21 January 2018

1 reference

OptZyme: computational enzyme redesign using transition state analogues

21 January 2018

1 reference

OptCDR: a general computational method for the design of antibody complementarity determining regions for targeted epitope binding.

21 January 2018

1 reference

MAPs: a database of modular antibody parts for predicting tertiary structures and designing affinity matured antibodies

21 January 2018

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CHARMM: the biomolecular simulation program

21 January 2018

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21 January 2018

The Protein Data Bank

1 reference

A human monoclonal antibody against insulin-like growth factor-II blocks the growth of human hepatocellular carcinoma cell lines in vitro and in vivo

21 January 2018

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Crystal structure of human insulin-like growth factor-1: detergent binding inhibits binding protein interactions

21 January 2018

1 reference

New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations.

21 January 2018

1 reference

Effective energy function for proteins in solution

21 January 2018

1 reference

Bayesian statistical analysis of protein side-chain rotamer preferences

21 January 2018

1 reference

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

Crystallographic analysis of anti-p24 (HIV-1) monoclonal antibody cross-reactivity and polyspecificity

21 January 2018

1 reference

Structure validation by Calpha geometry: phi,psi and Cbeta deviation

21 January 2018

1 reference

Conformational strain in the hydrophobic core and its implications for protein folding and design

21 January 2018

1 reference

IMGT unique numbering for immunoglobulin and T cell receptor constant domains and Ig superfamily C-like domains

21 January 2018

1 reference

IMGT, the international ImMunoGeneTics information system.

21 January 2018

1 reference

Protein-protein recognition: crystal structural analysis of a barnase-barstar complex at 2.0-A resolution

21 January 2018

1 reference

SKEMPI: a Structural Kinetic and Energetic database of Mutant Protein Interactions and its use in empirical models.

21 January 2018

1 reference

Assessing computational methods for predicting protein stability upon mutation: good on average but not in the details.

21 January 2018

1 reference

Cooperative structure of the heterotrimeric pre-mRNA retention and splicing complex

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.23796

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20 December 2017

journals/jcc/PantazesGLGM15

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

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20 December 2017