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Eugene I. Shakhnovich
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- affiliation: Harvard University, Department of Chemistry and Chemical Biology
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2020 – today
- 2020
- [i1]David E. Graff, Eugene I. Shakhnovich, Connor W. Coley:
Accelerating high-throughput virtual screening through molecular pool-based active learning. CoRR abs/2012.07127 (2020)
2010 – 2019
- 2018
- [j24]Rostam M. Razban, Amy I Gilson, Niamh Durfee, Hendrik Strobelt, Kasper Dinkla, Jeong-Mo Choi, Hanspeter Pfister, Eugene I. Shakhnovich:
ProteomeVis: a web app for exploration of protein properties from structure to sequence evolution across organisms' proteomes. Bioinform. 34(20): 3557-3565 (2018) - [j23]Rostam M. Razban, Amy I Gilson, Niamh Durfee, Hendrik Strobelt, Kasper Dinkla, Jeong-Mo Choi, Hanspeter Pfister, Eugene I. Shakhnovich:
ProteomeVis: a web app for exploration of protein properties from structure to sequence evolution across organisms' proteomes. Bioinform. 34(23): 4140 (2018) - 2017
- [j22]Nicolas Chéron, Eugene I. Shakhnovich:
Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations. J. Comput. Chem. 38(22): 1941-1951 (2017) - [j21]Théau Debroise, Eugene I. Shakhnovich, Nicolas Chéron:
A Hybrid Knowledge-Based and Empirical Scoring Function for Protein-Ligand Interaction: SMoG2016. J. Chem. Inf. Model. 57(3): 584-593 (2017) - 2016
- [j20]Hugo Jacquin, Amy Gilson, Eugene I. Shakhnovich, Simona Cocco, Rémi Monasson:
Benchmarking Inverse Statistical Approaches for Protein Structure and Design with Exactly Solvable Models. PLoS Comput. Biol. 12(5) (2016) - 2015
- [j19]Jian Tian, Jaie C. Woodard, Anna Whitney, Eugene I. Shakhnovich:
Thermal Stabilization of Dihydrofolate Reductase Using Monte Carlo Unfolding Simulations and Its Functional Consequences. PLoS Comput. Biol. 11(4) (2015) - 2014
- [j18]Sílvia G. Estácio, Heinrich Krobath, Diogo Vila-Viçosa, Miguel Machuqueiro, Eugene I. Shakhnovich, Patrícia F. N. Faísca:
A Simulated Intermediate State for Folding and Aggregation Provides Insights into ΔN6 β2-Microglobulin Amyloidogenic Behavior. PLoS Comput. Biol. 10(5) (2014) - 2013
- [j17]Pouria Dasmeh, Adrian W. R. Serohijos, Kasper P. Kepp, Eugene I. Shakhnovich:
Positively Selected Sites in Cetacean Myoglobins Contribute to Protein Stability. PLoS Comput. Biol. 9(3) (2013) - [j16]Murat Çetinbas, Eugene I. Shakhnovich:
Catalysis of Protein Folding by Chaperones Accelerates Evolutionary Dynamics in Adapting Cell Populations. PLoS Comput. Biol. 9(11) (2013) - 2012
- [j15]C. Scott Wylie, Eugene I. Shakhnovich:
Mutation Induced Extinction in Finite Populations: Lethal Mutagenesis and Lethal Isolation. PLoS Comput. Biol. 8(8) (2012) - [j14]Ranjan V. Mannige, Charles L. Brooks III, Eugene I. Shakhnovich:
A Universal Trend among Proteomes Indicates an Oily Last Common Ancestor. PLoS Comput. Biol. 8(12) (2012) - 2010
- [j13]Muyoung Heo, Eugene I. Shakhnovich:
Interplay between Pleiotropy and Secondary Selection Determines Rise and Fall of Mutators in Stress Response. PLoS Comput. Biol. 6(3) (2010) - [j12]Jingshan Zhang, Eugene I. Shakhnovich:
Optimality of Mutation and Selection in Germinal Centers. PLoS Comput. Biol. 6(6) (2010)
2000 – 2009
- 2009
- [j11]J. William Lee, Tomasz Zemojtel, Eugene I. Shakhnovich:
Systems-Level Evidence of Transcriptional Co-Regulation of Yeast Protein Complexes. J. Comput. Biol. 16(2): 331-339 (2009) - [j10]Peter S. Kutchukian, David Lou, Eugene I. Shakhnovich:
FOG: Fragment Optimized Growth Algorithm for the de Novo Generation of Molecules Occupying Druglike Chemical Space. J. Chem. Inf. Model. 49(7): 1630-1642 (2009) - [j9]Jason E. Donald, Eugene I. Shakhnovich:
SDR: a database of predicted specificity-determining residues in proteins. Nucleic Acids Res. 37(Database-Issue): 191-194 (2009) - 2007
- [j8]Konstantin B. Zeldovich, Igor N. Berezovsky, Eugene I. Shakhnovich:
Protein and DNA Sequence Determinants of Thermophilic Adaptation. PLoS Comput. Biol. 3(1) (2007) - [j7]Igor N. Berezovsky, Konstantin B. Zeldovich, Eugene I. Shakhnovich:
Positive and Negative Design in Stability and Thermal Adaptation of Natural Proteins. PLoS Comput. Biol. 3(3) (2007) - [j6]Konstantin B. Zeldovich, Peiqiu Chen, Boris E. Shakhnovich, Eugene I. Shakhnovich:
A First-Principles Model of Early Evolution: Emergence of Gene Families, Species, and Preferred Protein Folds. PLoS Comput. Biol. 3(7) (2007) - 2006
- [j5]Marcin von Grotthuss, Dariusz Plewczynski, Krzysztof Ginalski, Leszek Rychlewski, Eugene I. Shakhnovich:
PDB-UF: database of predicted enzymatic functions for unannotated protein structures from structural genomics. BMC Bioinform. 7: 53 (2006) - 2005
- [j4]Jason E. Donald, Isaac A. Hubner, Veronica Rotemberg, Eugene I. Shakhnovich, Leonid A. Mirny:
CoC: a database of universally conserved residues in protein folds. Bioinform. 21(10): 2539-2540 (2005) - [j3]Jason E. Donald, Eugene I. Shakhnovich:
Determining functional specificity from protein sequences. Bioinform. 21(11): 2629-2635 (2005) - [j2]Igor N. Berezovsky, William W. Chen, Paul J. Choi, Eugene I. Shakhnovich:
Entropic Stabilization of Proteins and Its Proteomic Consequences. PLoS Comput. Biol. 1(4) (2005) - 2003
- [j1]Boris E. Shakhnovich, John M. Harvey, Steve Comeau, David Lorenz, Charles DeLisi, Eugene I. Shakhnovich:
ELISA: Structure-Function Inferences based on statistically significant and evolutionarily inspired observations. BMC Bioinform. 4: 34 (2003)
1990 – 1999
- 1999
- [c2]C. Kissinger, A. Keith Dunker, Eugene I. Shakhnovich:
Disorder in Protein Structure and Function - Session Introduction. Pacific Symposium on Biocomputing 1999: 517-519 - 1995
- [c1]Andrej Sali, Eugene I. Shakhnovich, Martin Karplus:
Thermodynamics and kinetics of protein folding. Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding 1995: 199-213
Coauthor Index
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