Bruce Randall Donald

Orcid: 0000-0001-6884-4398

Affiliations:
  • Duke University, Durham, USA


According to our database1, Bruce Randall Donald authored at least 124 papers between 1985 and 2022.

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Bibliography

2022
Chiral evasion and stereospecific antifolate resistance in Staphylococcus aureus.
PLoS Comput. Biol., 2022

RESISTOR: A New OSPREY Module to Predict Resistance Mutations.
J. Comput. Biol., 2022

Resistor: An Algorithm for Predicting Resistance Mutations Using Pareto Optimization over Multistate Protein Design and Mutational Signatures.
Proceedings of the Research in Computational Molecular Biology, 2022

2020
Novel, provable algorithms for efficient ensemble-based computational protein design and their application to the redesign of the c-Raf-RBD: KRas protein-protein interface.
PLoS Comput. Biol., 2020

Minimization-Aware Recursive K*: A Novel, Provable Algorithm that Accelerates Ensemble-Based Protein Design and Provably Approximates the Energy Landscape.
J. Comput. Biol., 2020

2019
Minimal NMR distance information for rigidity of protein graphs.
Discret. Appl. Math., 2019

Protein design by provable algorithms.
Commun. ACM, 2019

Minimization-Aware Recursive K^* K ∗ ( MARK^* MARK ∗ ): A Novel, Provable Algorithm that Accelerates Ensemble-Based Protein Design and Provably Approximates the Energy Landscape.
Proceedings of the Research in Computational Molecular Biology, 2019

Some Geometric and Computational Challenges Arising in Structural Molecular Biology (Invited Talk).
Proceedings of the 35th International Symposium on Computational Geometry, 2019

2018
OSPREY 3.0: Open-source protein redesign for you, with powerful new features.
J. Comput. Chem., 2018

<i>BBK* (Branch and Bound Over K*): </i> A Provable and Efficient Ensemble-Based Protein Design Algorithm to Optimize Stability and Binding Affinity Over Large Sequence Spaces.
J. Comput. Biol., 2018

Protein Design by Algorithm.
CoRR, 2018

2017
A critical analysis of computational protein design with sparse residue interaction graphs.
PLoS Comput. Biol., 2017

LUTE (Local Unpruned Tuple Expansion): Accurate Continuously Flexible Protein Design with General Energy Functions and Rigid Rotamer-Like Efficiency.
J. Comput. Biol., 2017

CATS (Coordinates of Atoms by Taylor Series): protein design with backbone flexibility in all locally feasible directions.
Bioinform., 2017

BBK<sup>*</sup> (Branch and Bound over K<sup>*</sup>): A Provable and Efficient Ensemble-Based Algorithm to Optimize Stability and Binding Affinity over Large Sequence Spaces.
Proceedings of the Research in Computational Molecular Biology, 2017

2016
Fast search algorithms for computational protein design.
J. Comput. Chem., 2016

cOSPREY: A Cloud-Based Distributed Algorithm for Large-Scale Computational Protein Design.
J. Comput. Biol., 2016

BWM*: A Novel, Provable, Ensemble-based Dynamic Programming Algorithm for Sparse Approximations of Computational Protein Design.
J. Comput. Biol., 2016

comets (Constrained Optimization of Multistate Energies by Tree Search): A Provable and Efficient Protein Design Algorithm to Optimize Binding Affinity and Specificity with Respect to Sequence.
J. Comput. Biol., 2016

2015
Comets (Constrained Optimization of Multistate Energies by Tree Search): A Provable and Efficient Algorithm to Optimize Binding Affinity and Specificity with Respect to Sequence.
Proceedings of the Research in Computational Molecular Biology, 2015

2014
An efficient parallel algorithm for accelerating computational protein design.
Bioinform., 2014

2013
Planning and control for microassembly of structures composed of stress-engineered MEMS microrobots.
Int. J. Robotics Res., 2013

Extracting Structural Information from Residual Chemical Shift Anisotropy: Analytic Solutions for Peptide Plane Orientations and Applications to Determine Protein Structure.
Proceedings of the Research in Computational Molecular Biology, 2013

MicroStressBots: Species Differentiation in Surface Micromachined Microrobots.
Proceedings of the Small-Scale Robotics. From Nano-to-Millimeter-Sized Robotic Systems and Applications, 2013

Simultaneous determination of subunit and complex structures of symmetric homo-oligomers from ambiguous NMR data.
Proceedings of the ACM Conference on Bioinformatics, 2013

2012
Computational Design of a PDZ Domain Peptide Inhibitor that Rescues CFTR Activity.
PLoS Comput. Biol., 2012

The Role of Local Backrub Motions in Evolved and Designed Mutations.
PLoS Comput. Biol., 2012

Protein Design Using Continuous Rotamers.
PLoS Comput. Biol., 2012

Turning-rate Selective Control : A New Method for Independent Control of Stress-engineered MEMS Microrobots.
Proceedings of the Robotics: Science and Systems VIII, 2012

The Compass That Steered Robotics.
Proceedings of the Logic and Program Semantics, 2012

2011
A Bayesian Approach for Determining Protein Side-Chain Rotamer Conformations Using Unassigned NOE Data.
J. Comput. Biol., 2011

A Geometric Arrangement Algorithm for Structure Determination of Symmetric Protein Homo-Oligomers from NOEs and RDCs.
J. Comput. Biol., 2011

NMR Structural Inference of Symmetric Homo-Oligomers.
J. Comput. Biol., 2011

NVR-BIP: Nuclear Vector Replacement using Binary Integer Programming for NMR Structure-Based Assignments.
Comput. J., 2011

Protein Loop Closure Using Orientational Restraints from NMR Data.
Proceedings of the Research in Computational Molecular Biology, 2011

Design of Protein-Protein Interactions with a Novel Ensemble-Based Scoring Algorithm.
Proceedings of the Research in Computational Molecular Biology, 2011

2010
Algorithms and Analytic Solutions Using Sparse Residual Dipolar Couplings for High-Resolution Automated Protein Backbone Structure Determination by NMR.
Proceedings of the Algorithmic Foundations of Robotics IX, 2010

A Markov Random Field Framework for Protein Side-Chain Resonance Assignment.
Proceedings of the Research in Computational Molecular Biology, 2010

Developing a Scoring Function for NMR Structure-based Assignments using Machine Learning.
Proceedings of the Computer and Information Sciences, 2010

2008
The minimized dead-end elimination criterion and its application to protein redesign in a hybrid scoring and search algorithm for computing partition functions over molecular ensembles.
J. Comput. Chem., 2008

Simultaneous Control of Multiple MEMS Microrobots.
Proceedings of the Algorithmic Foundation of Robotics VIII, 2008

Algorithm for backrub motions in protein design.
Proceedings of the Proceedings 16th International Conference on Intelligent Systems for Molecular Biology (ISMB), 2008

2007
Dead-End Elimination with Backbone Flexibility.
Proceedings of the Proceedings 15th International Conference on Intelligent Systems for Molecular Biology (ISMB) & 6th European Conference on Computational Biology (ECCB), 2007

2006
A Polynomial-Time Algorithm for <i>De Novo</i> Protein Backbone Structure Determination from Nuclear Magnetic Resonance Data.
J. Comput. Biol., 2006

Extended Abstract: Structure Determination of Symmetric Protein Complexes by a Complete Search of Symmetry Configuration Space Using NMR Distance Restraints.
Proceedings of the Algorithmic Foundation of Robotics VII, 2006

A Novel Minimized Dead-End Elimination Criterion and Its Application to Protein Redesign in a Hybrid Scoring and Search Algorithm for Computing Partition Functions over Molecular Ensembles.
Proceedings of the Research in Computational Molecular Biology, 2006

Improved Pruning algorithms and Divide-and-Conquer strategies for Dead-End Elimination, with application to protein design.
Proceedings of the Proceedings 14th International Conference on Intelligent Systems for Molecular Biology 2006, 2006

2005
A Novel Ensemble-Based Scoring and Search Algorithm for Protein Redesign and Its Application to Modify the Substrate Specificity of the Gramicidin Synthetase A Phenylalanine Adenylation Enzyme.
J. Comput. Biol., 2005

A Probability-Based Similarity Measure for Saupe Alignment Tensors with Applications to Residual Dipolar Couplings in NMR Structural Biology.
Int. J. Robotics Res., 2005

Computational and physical modeling challenges in structural molecular biology and proteomics.
Proceedings of the Tenth ACM Symposium on Solid and Physical Modeling 2005, 2005

A Steerable, Untethered, 250 × 60µm MEMS Mobile Micro-Robot.
Proceedings of the Robotics Research: Results of the 12th International Symposium, 2005

High-throughput inference of protein-protein interfaces from unassigned NMR data.
Proceedings of the Proceedings Thirteenth International Conference on Intelligent Systems for Molecular Biology 2005, 2005

An Algebraic Geometry Approach to Protein Structure Determination from NMR Data.
Proceedings of the Fourth International IEEE Computer Society Computational Systems Bioinformatics Conference, 2005

An Efficient and Accurate Algorithm for Assigning Nuclear Overhauser Effect Restraints Using a Rotamer Library Ensemble and Residual Dipolar Couplings.
Proceedings of the Fourth International IEEE Computer Society Computational Systems Bioinformatics Conference, 2005

2004
A Polynomial-Time Nuclear Vector Replacement Algorithm for Automated NMR Resonance Assignments.
J. Comput. Biol., 2004

Algorithmic Challenges in Structural Molecular Biology and Proteomics.
Proceedings of the Algorithmic Foundations of Robotics VI, 2004

Analysis of a Systematic Search-Based Algorithm for Determining Protein Backbone Structure from a Minimum Number of Residual Dipolar Couplings.
Proceedings of the 3rd International IEEE Computer Society Computational Systems Bioinformatics Conference, 2004

High-Throughput 3D Structural Homology Detection via NMR Resonance Assignment.
Proceedings of the 3rd International IEEE Computer Society Computational Systems Bioinformatics Conference, 2004

2003
Probabilistic Disease Classification of Expression-Dependent Proteomic Data from Mass Spectrometry of Human Serum.
J. Comput. Biol., 2003

Phase-Independent Rhythmic Analysis of Genome-Wide Expression Patterns.
J. Comput. Biol., 2003

Large a polynomial-time nuclear vector replacement algorithm for automated NMR resonance assignments.
Proceedings of the Sventh Annual International Conference on Computational Biology, 2003

UntetheredMicro-Actuators for Autonomous Micro-robot Locomotion: Design, Fabrication, Control, and Performance.
Proceedings of the Robotics Research, The Eleventh International Symposium, 2003

An Exact Algorithm For Determining Protein Backbone Structure From NH Residual Dipolar Couplings.
Proceedings of the 2nd IEEE Computer Society Bioinformatics Conference, 2003

3D Structural Homology Detection via Unassigned Residual Dipolar Couplings.
Proceedings of the 2nd IEEE Computer Society Bioinformatics Conference, 2003

2002
Guest Editors' Introduction to the Special Issue on Algorithmic Foundations of Robotics.
Int. J. Robotics Res., 2002

A Maximum Entropy Algorithm for Rhythmic Analysis of Genome-Wide Expression Patterns.
Proceedings of the 1st IEEE Computer Society Bioinformatics Conference, 2002

2001
Reducing Mass Degeneracy in SAR by MS by Stable Isotopic Labeling.
J. Comput. Biol., 2001

Extracting structural information using time-frequency analysis of protein NMR data.
Proceedings of the Fifth Annual International Conference on Computational Biology, 2001

Physical Geometric Algorithms for Structural Molecular Biology.
Proceedings of the 2001 IEEE International Conference on Robotics and Automation, 2001

2000
Part orientation with one or two stable equilibria using programmable force fields.
IEEE Trans. Robotics Autom., 2000

The NOESY Jigsaw: Automated Protein Secondary Structure and Main-Chain Assignment from Sparse, Unassigned NMR Data.
J. Comput. Biol., 2000

Mobile Robot Self-Localization without Explicit Landmarks.
Algorithmica, 2000

Visibility-Based Planning of Sensor Control Strategies.
Algorithmica, 2000

Algorithms for Sensorless Manipulation Using a Vibrating Surface.
Algorithmica, 2000

Accessible animation and customizable graphics via simplicial configuration modeling.
Proceedings of the 27th Annual Conference on Computer Graphics and Interactive Techniques, 2000

Fully Programmable MEMS Ciliary Actuator Arrays for Micromanipulation Tasks.
Proceedings of the 2000 IEEE International Conference on Robotics and Automation, 2000

Practical Mobile Robot Self-Localization.
Proceedings of the 2000 IEEE International Conference on Robotics and Automation, 2000

Using Haptic Vector Fields for Animation Motion Control.
Proceedings of the 2000 IEEE International Conference on Robotics and Automation, 2000

Distributed Manipulation of Multiple Objects using Ropes.
Proceedings of the 2000 IEEE International Conference on Robotics and Automation, 2000

1999
Programmable Force Fields for Distributed Manipulation, with Applications to MEMS Actuator Arrays and Vibratory Parts Feeders.
Int. J. Robotics Res., 1999

On the Area Bisectors of a Polygon.
Discret. Comput. Geom., 1999

Experiments in Constrained Prehensile Manipulation: Distributed Manipulation with Ropes.
Proceedings of the Experimental Robotics VI, 1999

1997
Minimalism Distribution Supermodularity.
J. Exp. Theor. Artif. Intell., 1997

Information Invariants for Distributed Manipulation.
Int. J. Robotics Res., 1997

Vector fields for task-level distributed manipulation: experiments with organic micro actuator arrays.
Proceedings of the 1997 IEEE International Conference on Robotics and Automation, 1997

The Area Bisectors of a Polygon and Force Equilibria in Programmable Vector Fields.
Proceedings of the Thirteenth Annual Symposium on Computational Geometry, 1997

1996
What programmable vector fields can (and cannot) do: force field algorithms for MEMS and vibratory plate parts feeders.
Proceedings of the 1996 IEEE International Conference on Robotics and Automation, 1996

1995
Provably Good Approximation Algorithms for Optimal Kinodynamic Planning for Cartesian Robots and Open-Chain Manipulators.
Algorithmica, 1995

Provably Good Approximation Algorithms for Optimal Kinodynamic Planning: Robots with Decoupled Dynamics Bounds.
Algorithmica, 1995

On Information Invariants in Robotics.
Artif. Intell., 1995

Distributed Robotic Manipulation: Experiments in Minimalism.
Proceedings of the Experimental Robotics IV, The 4th International Symposium, Stanford, California, USA, June 30, 1995

Moving furniture with teams of autonomous robots.
Proceedings of IEEE/RSJ International Conference on Intelligent Robots and Systems, 1995

1994
Analyzing Teams of Cooperating Mobile Robots.
Proceedings of the 1994 International Conference on Robotics and Automation, 1994

Automatic Sensor Configuration for Task-Directed Planning.
Proceedings of the 1994 International Conference on Robotics and Automation, 1994

Sensorless Manipulation Using Massively Parallel Microfabricated Actuator Arrays.
Proceedings of the 1994 International Conference on Robotics and Automation, 1994

1993
Kinodynamic Motion Planning.
J. ACM, 1993

The Motion of Planar, Compliantly Connected Rigid Bodies in Contact, With Applications to Automatic Fastening.
Int. J. Robotics Res., 1993

Special Issue on Computational Robotics: The Geometric Theory of Manipulation, Planning, and Control.
Algorithmica, 1993

Information Invariants in Robotics: Part II - Sensors and Computation.
Proceedings of the 1993 IEEE International Conference on Robotics and Automation, 1993

Information Invariants in Robotics: Part I - State, Communication, and Side-Effects.
Proceedings of the 1993 IEEE International Conference on Robotics and Automation, 1993

1992
Constructive recognizability for task-directed robot programming.
Robotics Auton. Syst., 1992

Program mobile robots in Scheme.
Proceedings of the 1992 IEEE International Conference on Robotics and Automation, 1992

Constructive recognizability for task-directed robot programming.
Proceedings of the 1992 IEEE International Conference on Robotics and Automation, 1992

A Rational Rotation Method for Robust Geometric Algorithms.
Proceedings of the Eighth Annual Symposium on Computational Geometry, 1992

1991
Perceptual limits, perceptual equivalence classes, and a robot's sensori-computational capabilities (extended abstract).
Proceedings of the IEEE/RSJ International Conference on Intelligent Robots and Systems, 1991

Time-safety trade-offs and a bang-bang algorithm for kinodynamic planning.
Proceedings of the 1991 IEEE International Conference on Robotics and Automation, 1991

Sensor interpretation and task-directed planning using perceptual equivalence classes.
Proceedings of the 1991 IEEE International Conference on Robotics and Automation, 1991

On the Complexity of Computing the Homology Type of a Triangulation
Proceedings of the 32nd Annual Symposium on Foundations of Computer Science, 1991

1990
Planning Multi-Step Error Detection and Recovery Strategies.
Int. J. Robotics Res., 1990

The Complexity of Planar Compliant Motion Planning Under Uncertainty.
Algorithmica, 1990

Real-time robot motion planning using rasterizing computer graphics hardware.
Proceedings of the 17th Annual Conference on Computer Graphics and Interactive Techniques, 1990

On the motion of compliantly-connected rigid bodies in contact. II. A system for analyzing designs for assembly.
Proceedings of the 1990 IEEE International Conference on Robotics and Automation, 1990

Simplified Voronoi Diagrams.
Proceedings of the Autonomous Robot Vehicles, 1990

1989
Towards experimental verification of an automated compliant motion planner based on a geometric theory of error detection and recovery.
Proceedings of the 1989 IEEE International Conference on Robotics and Automation, 1989

A provably good approximation algorithm for optimal-time trajectory planning.
Proceedings of the 1989 IEEE International Conference on Robotics and Automation, 1989

Error Detection and Recovery in Robotics
Lecture Notes in Computer Science 336, Springer, ISBN: 3-540-96909-8, 1989

1988
Simplified Voronoi Diagrams.
Discret. Comput. Geom., 1988

A Geometric Approach to Error Detection and Recovery for Robot Motion Planning with Uncertainty.
Artif. Intell., 1988

Planning multistep error detection and recovery strategies.
Proceedings of the 1988 IEEE International Conference on Robotics and Automation, 1988

On the Complexity of Kinodynamic Planning
Proceedings of the 29th Annual Symposium on Foundations of Computer Science, 1988

1987
A Search Algorithm for Motion Planning with Six Degrees of Freedom.
Artif. Intell., 1987

1986
Robot motion planning with uncertainty in the geometric models of the robot and environment: A formal framework for error detection and recovery.
Proceedings of the 1986 IEEE International Conference on Robotics and Automation, 1986

1985
On motion planning with six degrees of freedom: Solving the intersection problems in configuration space.
Proceedings of the 1985 IEEE International Conference on Robotics and Automation, 1985


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