Ivan Tubert-Brohman

Cituota

	Visi	Nuo 2020
Šaltiniai	1339	531
h-rodyklė	14	10
i10-rodyklė	14	10

140

105

20042005200620072008200920102011201220132014201520162017201820192020202120222023202420254 12 27 37 46 43 67 43 37 64 70 66 66 63 74 73 77 110 102 100 129 13

Viešas pasiekiamumas

Peržiūrėti viską

2 straipsniai

1 straipsnis

pasiekiami

nepasiekiami

Pagal finansavimo įpareigojimus

Bendraautoriai

William L. JorgensenSterling Professor of Chemistry, Yale UniversityPatvirtintas el. paštas yale.edu
Matt RepaskySchrodingerPatvirtintas el. paštas schrodinger.com
Sathesh BhatSchrodingerPatvirtintas el. paštas schrodinger.com
Rob MurphySchrodingerPatvirtintas el. paštas schrodinger.com
Robert AbelSchrödinger Inc.Patvirtintas el. paštas schrodinger.com
Woody ShermanPsivant TherapeuticsPatvirtintas el. paštas psivant.com
Thijs BeumingLatham Biopharm GroupPatvirtintas el. paštas lathambiopharm.com
M MeuwlyUniversity of BaselPatvirtintas el. paštas unibas.ch
Vicente TalanquerProfessor, Department of Chemistry and Biochemistry, University of ArizonaPatvirtintas el. paštas u.arizona.edu
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Patvirtintas el. paštas utoronto.ca
Alejandro Perdomo-Ortiz--Patvirtintas el. paštas post.harvard.edu
Colin TruncikSimon Fraser UniversityPatvirtintas el. paštas sfu.ca
Geordie RoseCEO, Sanctuary AIPatvirtintas el. paštas sanctuary.ai
Kyle KonzeSchrödingerPatvirtintas el. paštas schrodinger.com
Karl LeswingSchrodinger IncPatvirtintas el. paštas schrodinger.com
Andrea BortolatoSandboxAQPatvirtintas el. paštas sandboxaq.com
Markus K. DahlgrenPrincipal Scientist II, SchrodingerPatvirtintas el. paštas schrodinger.com
Pieter BosPrincipal Scientist II, SchrodingerPatvirtintas el. paštas schrodinger.com
Ramy FaridSchrödinger, Inc.Patvirtintas el. paštas schrodinger.com
Steven JeromeSchrödingerPatvirtintas el. paštas schrodinger.com

Stebėti

Ivan Tubert-Brohman

Senior Staff Developer, Schrödinger

Patvirtintas el. paštas schrodinger.com

Computational chemistry


Pavadinimas Rūšiuoti pagal šaltinius Rūšiuoti pagal metus Rūšiuoti pagal pavadinimą	Cituota Cituota	Metai
Improved docking of polypeptides with Glide I Tubert-Brohman, W Sherman, M Repasky, T Beuming Journal of chemical information and modeling 53 (7), 1689-1699, 2013	208	2013
Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function … MP Repasky, RB Murphy, JL Banks, JR Greenwood, I Tubert-Brohman, ... Journal of computer-aided molecular design 26, 787-799, 2012	163	2012
Construction of model Hamiltonians for adiabatic quantum computation and its application to finding low-energy conformations of lattice protein models A Perdomo, C Truncik, I Tubert-Brohman, G Rose, A Aspuru-Guzik Physical Review A—Atomic, Molecular, and Optical Physics 78 (1), 012320, 2008	130	2008
Reaction-based enumeration, active learning, and free energy calculations to rapidly explore synthetically tractable chemical space and optimize potency of cyclin-dependent … KD Konze, PH Bos, MK Dahlgren, K Leswing, I Tubert-Brohman, ... Journal of chemical information and modeling 59 (9), 3782-3793, 2019	122	2019
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens I Tubert‐Brohman, CRW Guimarães, MP Repasky, WL Jorgensen Journal of computational chemistry 25 (1), 138-150, 2004	112	2004
WScore: a flexible and accurate treatment of explicit water molecules in ligand–receptor docking RB Murphy, MP Repasky, JR Greenwood, I Tubert-Brohman, S Jerome, ... Journal of medicinal chemistry 59 (9), 4364-4384, 2016	101	2016
Extension of the PDDG/PM3 semiempirical molecular orbital method to sulfur, silicon, and phosphorus I Tubert-Brohman, CRW Guimarães, WL Jorgensen Journal of chemical theory and computation 1 (5), 817-823, 2005	98	2005
Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoring G Barreiro, CRW Guimarães, I Tubert-Brohman, TM Lyons, J Tirado-Rives, ... Journal of chemical information and modeling 47 (6), 2416-2428, 2007	96	2007
Elucidation of hydrolysis mechanisms for fatty acid amide hydrolase and its Lys142Ala variant via QM/MM simulations I Tubert-Brohman, O Acevedo, WL Jorgensen Journal of the American Chemical Society 128 (51), 16904-16913, 2006	92	2006
Sobre adsorción I Tubert, V Talanquer Educación química 8 (4), 186-190, 1997	57	1997
Molecular mechanics force field for octahedral organometallic compounds with inclusion of the trans influence I Tubert-Brohman, M Schmid, M Meuwly Journal of chemical theory and computation 5 (3), 530-539, 2009	49	2009
NO-MNDO: Reintroduction of the Overlap Matrix into MNDO KW Sattelmeyer, I Tubert-Brohman, WL Jorgensen Journal of Chemical Theory and Computation 2 (2), 413-419, 2006	42	2006
Effects of Arg90 neutralization on the enzyme-catalyzed rearrangement of chorismate to prephenate CRW Guimarães, M Udier-Blagović, I Tubert-Brohman, WL Jorgensen Journal of Chemical Theory and Computation 1 (4), 617-625, 2005	36	2005
Water-assisted proton transfer in ferredoxin I S Lutz, I Tubert-Brohman, Y Yang, M Meuwly Journal of Biological Chemistry 286 (27), 23679-23687, 2011	19	2011
Crucigrama elemental I Tubert Educación Química 9 (6), 382-384, 1998	9	1998
Sobre adsorción V Talanquer, I Tubert Para Saber, Experimentar y Simular 8 (4), 186-190, 1997	5	1997

Sistema negali atlikti operacijos. Bandykite vėliau dar kartą.

Straipsniai 1–16

Šaltinių per metus

Dubliuoti šaltiniai

Sujungti šaltiniai

Pridėti bendraautoriusBendraautoriai

Stebėti

Cituota

Bendraautoriai