Camilo Velez-Vega

发表

Kinetics and mechanism of the unfolding native-to-loop transition of Trp-cage in explicit solvent via optimized forward flux sampling simulations.

Ernesto E. Borrero, F. Escobedo, Camilo Velez-Vega, 2010, The Journal of chemical physics.

Kinetics and reaction coordinate for the isomerization of alanine dipeptide by a forward flux sampling protocol.

Ernesto E. Borrero, F. Escobedo, Camilo Velez-Vega, 2009, The Journal of chemical physics.

Inhibitor Binding Influences the Protonation State of Histidines in SARS-CoV-2 Main Protease

Jerry M. Parks, Jeremy C. Smith, Callum J. Dickson, 2020, bioRxiv.

Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen-Hydrogen Correlations.

Robert A Pearlstein, Vibhas Aravamuthan, Tom Kurtzman, 2015, Journal of chemical theory and computation.

Tilting the balance between canonical and noncanonical conformations for the H1 hypervariable loop of a llama VHH through point mutations.

F. Escobedo, Camilo Velez-Vega, S. Mahajan, 2013, The journal of physical chemistry. B.

ETX2514 is a broad-spectrum β-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii

D. Ehmann, S. McLeod, Camilo Velez-Vega, 2017, Nature Microbiology.

Whole-Cell-Based Assay To Evaluate Structure Permeation Relationships for Carbapenem Passage through the Pseudomonas aeruginosa Porin OprD.

Camilo Velez-Vega, R. Tommasi, Alita A. Miller, 2017, ACS infectious diseases.

Uncoupling the Structure-Activity Relationships of β2 Adrenergic Receptor Ligands from Membrane Binding.

Callum J. Dickson, V. Hornak, S. Charlton, 2016, Journal of medicinal chemistry.

Evaluation of K-Ras4B dimer interfaces and the role of Raf effectors

Z. Cournia, S. Doerr, J. Duca, 2022, bioRxiv.

Rational design of a new antibiotic class for drug-resistant infections

S. McLeod, A. Ferguson, G. Drusano, 2021, Nature.

Evaluating the Efficiency of the Martini Force Field to Study Protein Dimerization in Aqueous and Membrane Environments.

Z. Cournia, J. Duca, Camilo Velez-Vega, 2021, Journal of chemical theory and computation.

Membrane Composition and Raf[CRD]-Membrane Attachment Are Driving Forces for K-Ras4B Dimer Stability.

Z. Cournia, S. Doerr, J. Duca, 2021, The journal of physical chemistry. B.

Characterizing the structural behavior of selected Aβ-42 monomers with different solubilities.

F. Escobedo, Camilo Velez-Vega, 2011, The journal of physical chemistry. B.

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

Callum J. Dickson, C. Chipot, J. Gumbart, 2020, Chemical science.

Revealing Molecular Determinants of hERG Blocker and Activator Binding

Callum J Dickson, Camilo Velez-Vega, Jose S Duca, 2019, J. Chem. Inf. Model..

Time-Averaged Distributions of Solute and Solvent Motions: Exploring Proton Wires of GFP and PfM2DH

Vibhas Aravamuthan, Camilo Velez-Vega, Daniel J. J. McKay, 2014, J. Chem. Inf. Model..

Simulated mutagenesis of the hypervariable loops of a llama VHH domain for the recovery of canonical conformations.

F. Escobedo, M. K. Fenwick, Camilo Velez-Vega, 2009, The journal of physical chemistry. B.

Overcoming dissipation in the calculation of standard binding free energies by ligand extraction

Michael K. Gilson, Camilo Velez-Vega, M. Gilson, 2013, J. Comput. Chem..

Structure of the MRAS–SHOC2–PP1C phosphatase complex

Kathryn A. Porter, G. Kerr, M. Eck, 2022, Nature.

Force and Stress along Simulated Dissociation Pathways of Cucurbituril-Guest Systems.

Michael K Gilson, Camilo Velez-Vega, M. Gilson, 2012, Journal of chemical theory and computation.

Structure of the MRAS–SHOC2–PP1C phosphatase complex

Kathryn A. Porter, G. Kerr, M. Eck, 2022, Nature.

Time-Averaged Distributions of Solute and Solvent Motions: Exploring Proton Wires of GFP and PfM2DH

J. Duca, Camilo Velez-Vega, R. Pearlstein, 2014, J. Chem. Inf. Model..