Eugene I. Shakhnovich
Affiliations:- Harvard University, Department of Chemistry and Chemical Biology
According to our database1,
Eugene I. Shakhnovich
authored at least 26 papers
between 1995 and 2020.
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Bibliography
2020
Accelerating high-throughput virtual screening through molecular pool-based active learning.
CoRR, 2020
2018
ProteomeVis: a web app for exploration of protein properties from structure to sequence evolution across organisms' proteomes.
Bioinform., 2018
2017
A Hybrid Knowledge-Based and Empirical Scoring Function for Protein-Ligand Interaction: SMoG2016.
J. Chem. Inf. Model., 2017
Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations.
J. Comput. Chem., 2017
2016
Benchmarking Inverse Statistical Approaches for Protein Structure and Design with Exactly Solvable Models.
PLoS Comput. Biol., 2016
2015
Thermal Stabilization of Dihydrofolate Reductase Using Monte Carlo Unfolding Simulations and Its Functional Consequences.
PLoS Comput. Biol., 2015
2014
A Simulated Intermediate State for Folding and Aggregation Provides Insights into ΔN6 β<sub>2</sub>-Microglobulin Amyloidogenic Behavior.
PLoS Comput. Biol., 2014
2013
PLoS Comput. Biol., 2013
Catalysis of Protein Folding by Chaperones Accelerates Evolutionary Dynamics in Adapting Cell Populations.
PLoS Comput. Biol., 2013
2012
Mutation Induced Extinction in Finite Populations: Lethal Mutagenesis and Lethal Isolation.
PLoS Comput. Biol., 2012
PLoS Comput. Biol., 2012
2010
Interplay between Pleiotropy and Secondary Selection Determines Rise and Fall of Mutators in Stress Response.
PLoS Comput. Biol., 2010
2009
Nucleic Acids Res., 2009
FOG: Fragment Optimized Growth Algorithm for the <i>de Novo</i> Generation of Molecules Occupying Druglike Chemical Space.
J. Chem. Inf. Model., 2009
J. Comput. Biol., 2009
2007
A First-Principles Model of Early Evolution: Emergence of Gene Families, Species, and Preferred Protein Folds.
PLoS Comput. Biol., 2007
PLoS Comput. Biol., 2007
Positive and Negative Design in Stability and Thermal Adaptation of Natural Proteins.
PLoS Comput. Biol., 2007
2006
PDB-UF: database of predicted enzymatic functions for unannotated protein structures from structural genomics.
BMC Bioinform., 2006
2005
PLoS Comput. Biol., 2005
2003
ELISA: Structure-Function Inferences based on statistically significant and evolutionarily inspired observations.
BMC Bioinform., 2003
1999
Proceedings of the 4th Pacific Symposium on Biocomputing, 1999
1995
Proceedings of the Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding, 1995