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Molecular design software

Molecular design software is software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to… Expand
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Related topics

Related topics

48 relations
AbaloneAscalaph DesignerAssisted Model Building with Energy Refinement (AMBER)Avogadro
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Papers overview

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2019
2019
Conditioning by adaptive sampling for robust design
We present a new method for design problems wherein the goal is to maximize or specify the value of one or more properties of… Expand
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2014
2014
Modular design of coiled coils to target bZIP transcription factors
Basic leucine-zipper (bZIP) transcription factors regulate many important cellular processes including tissue differentiation… Expand
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2013
2013
Chimeric Glutathione S-Transferases: Properties and Thermodynamic Stability
The ultimate goal in protein design is the creation of proteins with desired functions. We have constructed a set of engineered… Expand
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2012
2012
Efficient and Exact MAP-MRF Inference using Branch and Bound
We propose two novel Branch-and-Bound (BB) methods to efficiently solve exact MAPMRF inference on problems with a large number of… Expand
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Highly Cited
2004
Highly Cited
2004
A Semidefinite Programming Approach to Side Chain Positioning with New Rounding Strategies
Side chain positioning is an important subproblem of the general protein-structure-prediction problem, with applications in… Expand
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2004
2004
Identifying Protein-Protein Interaction Sites on a Genome-Wide Scale
Protein interactions typically arise from a physical interaction of one or more small sites on the surface of the two proteins… Expand
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2000
2000
Conformational splitting: A more powerful criterion for dead-end elimination
Dead-end elimination (DEE) is a powerful theorem for selecting optimal protein side-chain orientations from a large set of… Expand
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1999
1999
ANALYTICAL APPROACH TO THE PROTEIN DESIGN PROBLEM
We present an analytical method for determining the designability of protein structures. We apply our method to the case of two… Expand
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1997
1997
Design of a Unique Protein Scaffold for Maquettes
Heme proteins serve a wide variety of functions in the biological milieu.1 Our approach to the study of protein structure… Expand
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1996
1996
Redox-Triggered Secondary Structure Changes in the Aggregated States of a Designed Methionine-Rich Peptide
We have previously shown that methionine can be used as a “switchable” residue for the design of peptides with alternative… Expand
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