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List of works by Mark Moll

A review of parameters and heuristics for guiding metabolic pathfinding

scientific article published on 15 September 2017

Aligning parts for micro assemblies

Analysis of substructural variation in families of enzymatic proteins with applications to protein function prediction.

scientific article

Coarse-Grained Conformational Sampling of Protein Structure Improves the Fit to Experimental Hydrogen-Exchange Data.

scientific article

Combinatorial clustering of residue position subsets predicts inhibitor affinity across the human kinome

scientific article

Convergence-Zone Episodic Memory: Analysis and Simulations

scientific article published on 01 August 1997

DINC 2.0: A New Protein-Peptide Docking Webserver Using an Incremental Approach.

scientific article published in November 2017

Defining Low-Dimensional Projections to Guide Protein Conformational Sampling

scientific article published on 28 November 2016

General Prediction of Peptide-MHC Binding Modes Using Incremental Docking: A Proof of Concept

scientific article published on 12 March 2018

Improving the organization and interactivity of metabolic pathfinding with precomputed pathways

scientific article published on 10 January 2020

Low-dimensional, free-energy landscapes of protein-folding reactions by nonlinear dimensionality reduction

scholarly article

Machine Learning Guided Atom Mapping of Metabolic Reactions

scientific article published on 14 December 2018

Maintaining and Enhancing Diversity of Sampled Protein Conformations in Robotics-Inspired Methods

scientific article published on 16 October 2017

Native State of Complement Protein C3d Analysed via Hydrogen Exchange and Conformational Sampling

scientific article published on 24 March 2018

Randomized Physics-Based Motion Planning for Grasping in Cluttered and Uncertain Environments

Roadmap methods for protein folding

scientific article published on January 2008

SIMS: a hybrid method for rapid conformational analysis.

scientific article

Structure-guided selection of specificity determining positions in the human Kinome

scientific article

The LabelHash algorithm for substructure matching.

scientific article

The LabelHash server and tools for substructure-based functional annotation.

scientific article published on 8 June 2011

Tracing conformational changes in proteins

scientific article

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