ALVAREZ, GUADALUPE; LE, THU; WONG, NATHAN; ECHAVE, JULIAN; POCHAPSKY, THOMAS C.; ASCIUTTO, ELIANA K.

Hydroxylation Regiochemistry Is Robust to Active Site Mutations in Cytochrome P450cam(CYP101A1)

BIOCHEMISTRY; Año: 2022 vol. 61 p. 1790 - 1800

ECHAVE, JULIAN

Fast computational mutation-response scanning of proteins

PeerJ; Año: 2021 vol. 9

ECHAVE, JULIAN

Fast computational mutation-response scanning of proteins

PeerJ; Año: 2021 vol. 9

ECHAVE, JULIAN

Fast computational mutation-response scanning of proteins

PeerJ; Año: 2021 vol. 9

ECHAVE, JULIAN

Evolutionary coupling range varies widely among enzymes depending on selection pressure

BIOPHYSICAL JOURNAL; Lugar: United States; Año: 2021 vol. 120 p. 4320 - 4324

MARCOS, MARÍA LAURA DEL VALLE; J. ECHAVE

The variation among sites of protein structure divergence is shaped by mutation andscaled by selection

Current Research in Structural Biology; Año: 2020

ECHAVE, JULIAN

Beyond stability constraints: a biophysical model of enzyme evolution with selection on stability and activity

MOLECULAR BIOLOGY AND EVOLUTION; Lugar: Oxford; Año: 2019 vol. 36 p. 613 - 620

J. ECHAVE; C. O. WILKE

Biophysical models of protein evolution: Understanding the patterns of evolutionary sequence divergence

ANNUAL REVIEW OF BIOPHYSICS; Lugar: Palo Alto, California; Año: 2017 vol. 46

U. BASTOLLA; Y. DEHOUCK; J. ECHAVE

What evolution tells us about protein physics, and protein physics tells us about evolution

CURRENT OPINION IN STRUCTURAL BIOLOGY; Lugar: Londres; Año: 2017 vol. 42 p. 59 - 66

B. JACK; A. MEYER; J. ECHAVE; C. O. WILKE

Functional Sites Induce Long-Range Evolutionary Constraints in Enzymes

PLOS BIOLOGY; Lugar: San Francisco; Año: 2016 vol. 14

J. ECHAVE; S. SPIELMAN; C. O. WILKE

Causes of evolutionary rate variation among protein sites

NATURE REVIEWS GENETICS; Lugar: Londres; Año: 2016 vol. 17 p. 109 - 121

MARCOS, MARÍA LAURA DEL VALLE; ECHAVE, JULIAN

Too packed to change: side-chain packing and site-specific substitution rates in protein evolution

peerJ; Lugar: Londres; Año: 2015

ECHAVE, JULIAN; JACKSON, ELISHA; WILKE, CLAUS

Relationship between protein thermodynamic constraints and variation of evolutionary rates among sites

PHYSICAL BIOLOGY; Lugar: Londres; Año: 2015 vol. 12

SW YEH; TT HUANG; JW LIU; SH YU; CH SHIH; JK HWANG; J ECHAVE

Local packing density is the main structural determinant of the rate of protein sequence evolution at site level

Biomedical Research International; Año: 2014

SW YEH; JW LIU; SH YU; CH YIH; JK HWANG; J ECHAVE

Site-specific structural constraints on protein sequence evolutionary divergence: local packing density vs. solvent exposure

MOLECULAR BIOLOGY AND EVOLUTION; Lugar: Oxford; Año: 2014 vol. 31 p. 135 - 139

HUANG, TSUN-TSAO; MARCOS, MARÍA LAURA DEL VALLE; HWANG, JENN-KANG; ECHAVE, JULIAN

A mechanistic stress model of protein evolution accounts for site-specific evolutionary rates and their relationship with packing density and flexibility

BMC EVOLUTIONARY BIOLOGY; Lugar: Londres; Año: 2014 vol. 14 p. 1 - 9

J. ECHAVE

On the evolutionary conservation of protein dynamics

PHYSICS OF LIFE REVIEWS; Lugar: Amsterdam; Año: 2013 vol. 10 p. 31 - 32

D. A. LIBERLES; S. A. TEICHMANN; I. BAHAR; U. BASTOLLA; J. BLOOM; E. BORNBERG-BAUER; L. J. COLWELL; A. P. J. DE KONING; N. V. DOKHOLYAN; J. ECHAVE; A. ELOFSSON; D. L. GERLOFF; R. A. GOLDSTEIN; J. A. GRAHNEN; M. T. HOLDER; C. LAKNER; N. LARTILLOT; S. C. LOVELL; G. NAYLOR; T. PERICA; N. RUBINSTEIN; E. SHAKHNOVICH; K. SJOLANDER; S. SUNYAEV; A. I. TEUFEL; J. L. THORNE; J. W. THORNTON; D. M. WEINREICH; S. WHELAN; D. POLLOCK

The interface of protein structure, protein biophysics, and molecular evolution

PROTEIN SCIENCE; Lugar: New York; Año: 2012 vol. 21 p. 769 - 785

J. ECHAVE

Why are the low-energy protein normal modes evolutionarily conserved?

PURE AND APPLIED CHEMISTRY; Año: 2012 vol. 84 p. 1931 - 1937

E. FUGLEBAKK; J. ECHAVE; N. REUTER

Measuring and comparing structural fluctuation patterns in large protein datasets

BIOINFORMATICS (OXFORD, ENGLAND); Lugar: Oxford; Año: 2012 vol. 28 p. 2431 - 2440

O. BRAEM; A. AJDARZADEH OSKOUE; A. TORTSCHANOFF; F. VAN MOURIK; M. MADRID; J. ECHAVE; A. CANNIZZO; M. CHERGUI

Relaxation Dynamics of Tryptophan in Water: A UV Fluorescence Up-Conversion and Molecular Dynamics Study

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington; Año: 2010 vol. 114 p. 9034 - 9042

J. ECHAVE; F. M. FERNÁNDEZ

A perturbative view of protein structural variation

PROTEINS: STRUCTURE, FUNCTION AND GENETICS; Lugar: New York; Año: 2010 vol. 78 p. 173 - 180

J. ECHAVE

Textbook of Structural Biology

Trends in Evolutionary Biology; Año: 2009 vol. 1 p. 11 - 11

S. MAGUID, S. FERNÁNDEZ-ALBERTI, J. ECHAVE

Evolutionary conservation of protein vibrational dynamics

GENE; Año: 2008 vol. 422 p. 7 - 13

M.S. FORNASARI, G. PARISI, J. ECHAVE

Teaching non-covalent interactions using protein molecular evolution

BIOCHEMISTRY AND MOLECULAR BIOLOGY EDUCATION; Año: 2008 vol. 36 p. 284 - 286

J. ECHAVE

Evolutionary divergence of protein structure: the Linearly Forced Elastic Network Model

CHEMICAL PHYSICS LETTERS; Año: 2008 vol. 457 p. 413 - 416

M. S. FORNASARI; G. PARISI; J. ECHAVE

Quaternary structure constraints on evolutionary sequence divergence

MOLECULAR BIOLOGY AND EVOLUTION; Lugar: Oxford; Año: 2007 vol. 24 p. 349 - 351

S. FERNÁNDEZ-ALBERTI; D. E. BACELO; R. C. BINNING; J. ECHAVE; M. CHERGUI; J. LOPEZ-GARRIGA

Sulfide-binding hemoglobins: effects of mutations on active-site flexibility

BIOPHYSICAL JOURNAL; Lugar: United States; Año: 2006 vol. 91 p. 1698 - 1709

S. MAGUID; S. FERNÁNDEZ-ALBERTI; G. PARISI; J. ECHAVE

Evolutionary conservation of protein backbone flexibility

JOURNAL OF MOLECULAR EVOLUTION; Año: 2006 vol. 63 p. 448 - 457

G. PIERDOMINICI-SOTTILE; J. ECHAVE; J. PALMA

Molecular dynamics study of the active site of methylamine dehydrogenase

JOURNAL OF PHYSICAL CHEMISTRY B; Año: 2006 vol. 110 p. 11592 - 11599

G. PARISI; J. ECHAVE

Generality of the structurally constrained protein evolution model: assessment on representatives of the four main fold classes

GENE; Año: 2005 vol. 345 p. 45 - 53

M. A. LEMA; J. ECHAVE

Assessing local structural perturbations in proteins

BMC BIOINFORMATICS; Año: 2005 vol. 6 p. 1 - 11

S. MAGUID; S. FERNÁNDEZ-ALBERTI; L. FERRELLI; J. ECHAVE

Exploring the common dynamics of homologous proteins. Application to the globin family

BIOPHYSICAL JOURNAL; Año: 2005 vol. 89 p. 3 - 13

G. PIERDOMINICI-SOTTILE; J. ECHAVE; J. PALMA

Quantum study of the structure of the active site of methylamine dehydrogenase

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Año: 2005 vol. 105 p. 937 - 945

G. PARISI; M. S. FORNASARI; J. ECHAVE

Dynactins p25 and p27 are predicted to adopt the LβH fold

FEBS LETTERS; Año: 2004 vol. 562 p. 1 - 4

G. PARISI; M. PERALES; M. S. FORNASARI; A. COLANERI; N. SCHAIN; D. CASATI; S. ZIMMERMANN; A. BRENNICKE; A. ARAYA; J. FERRY; J. ECHAVE; E. ZABALETA

Gamma carbonic anhydrases in plant mitochondria

PLANT MOLECULAR BIOLOGY; Año: 2004 vol. 55 p. 193 - 207

M. PERALES; G. PARISI; M. S. FORNASARI; A. COLANERI; F. VILLARREAL; N. GONZALEZ-SCHOIN; J. ECHAVE; D. GOMEZ-CASATI; H. P. BRAUN; A. ARAYA; E. ZABALETA

Gamma carbonic anhydrase like complex interact with plant mitochondrial complex I.

PLANT MOLECULAR BIOLOGY; Año: 2004 vol. 56 p. 947 - 957

M. S. FORNASARI; D. A. LAPLAGNE; N. FRANKEL; A. CAUERHFF; F. A. GOLDBAUM; J. ECHAVE

Sequence determinants of quaternary structure in Lumazine Synthase

MOLECULAR BIOLOGY AND EVOLUTION; Año: 2004 vol. 21 p. 97 - 107

G. PARISI; J. ECHAVE

The structurally constrained protein evolution model accounts for sequence patterns of the LbetaH superfamily

BMC EVOLUTIONARY BIOLOGY; Año: 2004 vol. 4 p. 1 - 17

C. R. GONZÁLEZ; S. FERNÁNDEZ-ALBERTI; J. ECHAVE; J. HELBING; M. CHERGUI

Simulations of the absorption band of the D-state of Hg2 in rare gas matrices

CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 2003 vol. 367 p. 651 - 656

C. R. GONZÁLEZ; S. FERNÁNDEZ-ALBERTI; J. ECHAVE; M. CHERGUI

Vibrational coherence and nonadiabatic dynamics in the condensed phase

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2002 vol. 116 p. 3343 - 3352

M. S. FORNASARI; G. PARISI; J. ECHAVE

Site-specific amino acid replacement matrices from structurally constrained protein evolution simulations.

MOLECULAR BIOLOGY AND EVOLUTION; Lugar: Oxford; Año: 2002 vol. 19 p. 352 - 356

J. PALMA; J. ECHAVE; D. C. CLARY

The effect of the symmetric and asymmetric stretching vibrations on the CH3D + O(3P) = CH3 + OD reaction

CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 2002 vol. 363 p. 529 - 533

J. PALMA; J. ECHAVE; D. C. CLARY

Rate Constants for the CH4 + H f CH3 + H2 Reaction Calculated with a Generalized Reduced-Dimensionality Method

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington; Año: 2002 vol. 106 p. 8256 - 8620

G. PARISI; J. ECHAVE

Structural constraints and emergence of sequence patterns in protein evolution.

MOLECULAR BIOLOGY AND EVOLUTION; Lugar: Oxford; Año: 2001 vol. 18 p. 750 - 756

M. A. LEMA; J. ECHAVE; D. A. GOLOMBEK

(Too Many) Mathematical Models of Circadian Clocks (?)

BIOLOGICAL RHYTHM RESEARCH; Lugar: Londres; Año: 2001 vol. 32 p. 285 - 298

J. HELBING; M. CHERGUI; S. FERNÁNDEZ-ALBERTI; J. ECHAVE; N. HALBERSTADT; J. A. BESWICK

Caging and excited state emission of ICN trapped in cryogenic matrices: experiment and theory

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2000 vol. 2 p. 4131 - 4138

S. FERNÁNDEZ-ALBERTI; J. ECHAVE; V. ENGEL; N. HALBERSTADT; J. A. BESWICK

Hybrid quantum-classical study of ICN in an Ar matrix: Photofragmentation and cage exit

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2000 vol. 113 p. 1027 - 1034

G. PARISI; M. S. FORNASARI; J. ECHAVE

Evolutionary Analysis of 􏱃-Carbonic Anhydrase and Structurally Related Proteins

MOLECULAR PHYLOGENETICS AND EVOLUTION; Lugar: Amsterdam; Año: 2000 vol. 14 p. 323 - 334

M. A. LEMA; D. A. GOLOMBEK; J. ECHAVE

Delay model of the circadian pacemaker

JOURNAL OF THEORETICAL BIOLOGY; Lugar: Amsterdam; Año: 2000 vol. 204 p. 565 - 573

J. CAMPOS-MARTÍNEZ; E. CARMONA-NOVILLO; J. ECHAVE; M. I. HERNÁNDEZ; J. PALMA

Quasi-classical rate constants for the inelastic process O2(v>>1) + O2 = O2(v) + O2

MOLECULAR PHYSICS; Lugar: Londres; Año: 2000 vol. 98 p. 1729 - 1735

S. K. POGREBNYA; J. PALMA; D. C. CLARY; J. ECHAVE

Quantum scattering and quasi-classical trajectory calculations for the H2+OH = H2O + H reaction on a new potential surface

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2000 vol. 2 p. 693 - 700

J. CAMPOS-MARTÍNEZ; E. CARMONA-NOVILLO; J ECHAVE; M. I. HERNÁNDEZ; R. HERNÁNDEZ-LAMONEDA; J. PALMA

Reaction and inelastic processes in the collision O2 (v>0) + O2(v=0)

EUROPEAN JOURNAL OF PHYSICS; Lugar: Londres; Año: 1998 vol. 4 p. 159 - 168

I. SENDIÑA-NADAL; D. RONCAGLIA; D. VIVES; V. PEREZ-MUÑUZURI; M. GOMEZ-GESTEIRA; V. PEREZ-VILLAR; J. ECHAVE; J. CASADEMUNT; L. RAMIREZ-PISCINA; F. SAGUES

Percolation thresholds in chemical disordered excitable media

PHYSICAL REVIEW E; Lugar: New York; Año: 1998 vol. 59 p. 1183 - 1186

S. FERNÁNDEZ-ALBERTI, D. E. BACELO, R. C. BINNING JR., J. ECHAVE, M. CHERGUI, J. LOPEZ GARRIGA; N. HALBERSTADT; J. A. BESWICK; J. ECHAVE

A theoretical study of photofragmentation and geminate recombination of ICN in solid Ar

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 1998 vol. 109 p. 2844 - 2850

J. CAMPOS-MARTÍNEZ; E. CARMONA-NOVILLO; J. ECHAVE; M. I. HERNÁNDEZ; R. HERÁNDEZ-LAMONEDA; J. PALMA

Jump in depletion rates of highly excited O2: reaction or enhanced vibrational relaxation?

CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 1998 vol. 289 p. 150 - 155

S. K. POGREBNYA; J. ECHAVE; D. C. CLARY

Quantum theory of four-atom reactions using arrangement channel hyperspherical coordinates: Formulation and application to OH+H2↔H2O+H

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 1997 vol. 107 p. 8975 - 8984

S. FERNÁNDEZ-ALBERTI; J ECHAVE

Theoretical study of the solvatochromism of a merocyanine dye

CHEMICAL PHYSICS; Lugar: Amsterdam; Año: 1997 vol. 223 p. 183 - 194

J. PALMA; J. ECHAVE; D. C. CLARY

Quasi-classical trajectory study of the reaction H2 + OH = H2O + H. Comparison with quantum results.

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I; Lugar: CAMBRIDGE; Año: 1997 vol. 93 p. 841 - 846

R. HERNÁNDEZ-LAMONEDA; M. I. HERNÁNDEZ; E. CARMONA-NOVILLO; J. CAMPOS-MARTÍNEZ; J. ECHAVE; D. C. CLARY

Theoretical evidence for the reaction O2(v) + O2(v=0) = O3(X1A) + O(3P)

CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 1997 vol. 276 p. 152 - 156

J. PALMA; J. ECHAVE

An analytical Fourier transform method for semiclassical quantization

CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 1997 vol. 270 p. 206 - 210

J. PALMA; J. ECHAVE

THE PLANAR REACTION OH+H2 ->H2O+H

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 1996 vol. 104 p. 2841 - 2846

J. ECHAVE

Time-dependent reactive scattering in hyperspherical coordinates: A close coupled wave packet approach

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 1996 vol. 104 p. 1380 - 1386

G. PARISI; J. ECHAVE; D. GHIRINGHELLI; V. ROMANOWSKI

Computational characterisation of potential RNA-binding sites in arenavirus nucleocapsid proteins.

VIRUS GENES; Lugar: Berlin; Año: 1996 vol. 13 p. 247 - 254

J ECHAVE; D. C. CLARY

Quantum theory of planar four-atom reactions

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 1994 vol. 100 p. 402 - 422

J. ECHAVE; F. M. FERNÁNDEZ; E. A. CASTRO

Semiclassical algebraic approach to translational-vibrational energy transfer in molecular collisions

ACTA PHYSICA SLOVACA; Año: 1993 vol. 43 p. 417 - 424

J. ECHAVE; D. C. CLARY

Potential optimized discrete variable representation

CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 1992 vol. 190 p. 225 - 230

G-J. KROES; J. ECHAVE; D. C. CLARY

Rotationally and vibrationally inelastic scattering of D2CO

CHEMICAL PHYSICS; Lugar: Amsterdam; Año: 1992 vol. 163 p. 239 - 349

J. ECHAVE; F. M. FERNÁNDEZ

Baker-Campbell-Hausdorff relations for finite-dimensional lie algebras

JOURNAL OF MATHEMATICAL CHEMISTRY; Lugar: Berlin; Año: 1992 vol. 9 p. 87 - 94

J ECHAVE; F. M. FERNÁNDEZ; D. A. MICHA

Construction of effective Hamiltonians for time‐dependent phenomena from variational principles

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 1991 vol. 95 p. 3607 - 3613

J. ECHAVE; F. M. FERNÁNDEZ; D. A. MICHA

A generalized intermediate picture of quantal time evolution using operator algebraic methods. Application to translational?vibrational energy transfer in molecular collisions

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 1991 vol. 94 p. 3537 - 3541

J. ECHAVE; F. M. FERNÁNDEZ; E. A. CASTRO

On the bilinear approximation for time-dependent Hamiltonians

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 1990 vol. 92 p. 1188 - 1193

F. M. FERNÁNDEZ; J ECHAVE; E. A. CASTRO

On the convergence of the Magnus expansion in the Schrödinger representation

JOURNAL OF MATHEMATICAL PHYSICS; Lugar: New York; Año: 1990 vol. 31 p. 338 - 341

J. ECHAVE; F. M. FERNÁNDEZ; E. A. CASTRO; D. A. MICHA

Calculation of vibrational transition probabilities in molecular collisions: A recursive algebraic procedure

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 1989 vol. 91 p. 924 - 928

F. M. FERNÁNDEZ; D. A. MICHA; J. ECHAVE

Molecular transition probabilities for time-dependent, bilinear Hamiltonians in many dimensions: A recursive procedure

PHYSICAL REVIEW A - ATOMIC, MOLECULAR AND OPTICAL PHYSICS; Lugar: New York; Año: 1989 vol. 40 p. 74 - 74

F. M. FERNÁNDEZ; J ECHAVE; E. A. CASTRO

The magnus expansion for the damped harmonic oscillator

CHEMICAL PHYSICS; Lugar: Amsterdam; Año: 1987 vol. 117 p. 101 - 104