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.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

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Online presence:

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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
Positively Selected Sites in Cetacean Myoglobins Contribute to Protein Stability.
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

A Universal Trend among Proteomes Indicates an Oily Last Common Ancestor.
PLoS Comput. Biol., 2012

2010
Optimality of Mutation and Selection in Germinal Centers.
PLoS Comput. Biol., 2010

Interplay between Pleiotropy and Secondary Selection Determines Rise and Fall of Mutators in Stress Response.
PLoS Comput. Biol., 2010

2009
SDR: a database of predicted specificity-determining residues in proteins.
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

Systems-Level Evidence of Transcriptional Co-Regulation of Yeast Protein Complexes.
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

Protein and DNA Sequence Determinants of Thermophilic Adaptation.
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
Entropic Stabilization of Proteins and Its Proteomic Consequences.
PLoS Comput. Biol., 2005

Determining functional specificity from protein sequences.
Bioinform., 2005

CoC: a database of universally conserved residues in protein folds.
Bioinform., 2005

2003
ELISA: Structure-Function Inferences based on statistically significant and evolutionarily inspired observations.
BMC Bioinform., 2003

1999
Disorder in Protein Structure and Function - Session Introduction.
Proceedings of the 4th Pacific Symposium on Biocomputing, 1999

1995
Thermodynamics and kinetics of protein folding.
Proceedings of the Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding, 1995


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