Detalhe da pesquisa
1.
Virtual Screening in the Cloud: How Big Is Big Enough?
J Chem Inf Model
; 60(9): 4274-4282, 2020 09 28.
Artigo
Inglês
| MEDLINE | ID: mdl-31682421
2.
Leaving us with fond memories, smiles, SMILES and, alas, tears: a tribute to David Weininger, 1952-2016.
J Comput Aided Mol Des
; 32(2): 313-319, 2018 02.
Artigo
Inglês
| MEDLINE | ID: mdl-29397518
3.
The statistics of virtual screening and lead optimization.
J Comput Aided Mol Des
; 29(10): 923-6, 2015 Oct.
Artigo
Inglês
| MEDLINE | ID: mdl-26481649
4.
Factors determining penetrance in familial atypical haemolytic uraemic syndrome.
J Med Genet
; 51(11): 756-64, 2014 Nov.
Artigo
Inglês
| MEDLINE | ID: mdl-25261570
5.
Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK.
J Comput Aided Mol Des
; 28(3): 289-98, 2014 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-24633516
6.
Conformer generation with OMEGA: learning from the data set and the analysis of failures.
J Chem Inf Model
; 52(11): 2919-36, 2012 Nov 26.
Artigo
Inglês
| MEDLINE | ID: mdl-23082786
7.
The character of molecular modeling.
J Comput Aided Mol Des
; 26(1): 103-5, 2012 Jan.
Artigo
Inglês
| MEDLINE | ID: mdl-22180048
8.
Call for Papers: GRC, CADD, and statistics, and all that.
J Comput Aided Mol Des
; 26(10): 1097-9, 2012 Oct.
Artigo
Inglês
| MEDLINE | ID: mdl-23053739
9.
Application of the Gaussian dielectric boundary in Zap to the prediction of protein pKa values.
Proteins
; 79(12): 3400-9, 2011 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-21661059
10.
Statistics in molecular modeling: a summary.
J Comput Aided Mol Des
; 30(4): 279-80, 2016 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-27001050
11.
Analysis of SM8 and Zap TK calculations and their geometric sensitivity.
J Comput Aided Mol Des
; 24(4): 335-42, 2010 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-20432055
12.
SAMPL2 and continuum modeling.
J Comput Aided Mol Des
; 24(4): 293-306, 2010 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-20372975
13.
The SAMPL2 blind prediction challenge: introduction and overview.
J Comput Aided Mol Des
; 24(4): 259-79, 2010 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-20455007
14.
Can we share questions? Performance of questions from different question banks in a single medical school.
Med Teach
; 32(6): 464-6, 2010.
Artigo
Inglês
| MEDLINE | ID: mdl-20515373
15.
Convergent validity and reliability of a novel repeated agility protocol in junior rugby league players.
F1000Res
; 9: 624, 2020.
Artigo
Inglês
| MEDLINE | ID: mdl-34804503
16.
The SAMP1 solvation challenge: further lessons regarding the pitfalls of parametrization.
J Phys Chem B
; 113(14): 4521-32, 2009 Apr 09.
Artigo
Inglês
| MEDLINE | ID: mdl-19281198
17.
The Effect of a Resistance Training Session on Physiological and Thermoregulatory Measures of Sub-maximal Running Performance in the Heat in Heat-Acclimatized Men.
Sports Med Open
; 5(1): 21, 2019 Jun 04.
Artigo
Inglês
| MEDLINE | ID: mdl-31165339
18.
Predicting small-molecule solvation free energies: an informal blind test for computational chemistry.
J Med Chem
; 51(4): 769-79, 2008 Feb 28.
Artigo
Inglês
| MEDLINE | ID: mdl-18215013
19.
Comparison of shape-matching and docking as virtual screening tools.
J Med Chem
; 50(1): 74-82, 2007 Jan 11.
Artigo
Inglês
| MEDLINE | ID: mdl-17201411
20.
Sirolimus-induced remission of posttransplantation lymphoproliferative disorder.
Am J Kidney Dis
; 47(5): e67-72, 2006 May.
Artigo
Inglês
| MEDLINE | ID: mdl-16632009