Adrian Mulholland

Citado por

	Total	Desde 2020
Citas	16175	7753
Índice h	73	46
Índice i10	243	186

1700

850

425

1275

199819992000200120022003200420052006200720082009201020112012201320142015201620172018201920202021202220232024202545 48 62 87 63 106 87 125 221 355 374 367 437 457 551 532 673 662 689 635 823 834 1179 1539 1580 1561 1611 266

Acceso público

Ver todo

178 artículos

17 artículos

disponibles

no disponibles

Basado en requisitos de financiación

Coautores

Marc van der KampAssociate Professor, University of BristolDirección de correo verificada de bris.ac.uk
Jeremy HarveyKU LeuvenDirección de correo verificada de kuleuven.be
Richard LonsdaleGlaxoSmithKlineDirección de correo verificada de gsk.com
Ana Sofia Fernandes OliveiraSchool of Biochemistry & Center for Computational Chemistry, University of Bristol, UKDirección de correo verificada de bristol.ac.uk
Christopher WoodsUniversity of BristolDirección de correo verificada de bristol.ac.uk
david glowackiInvestigador Dinstinguido, CiTIUSDirección de correo verificada de usc.es
Alessio LodolaAssociate Professor of Medicinal Chemistry, University of ParmaDirección de correo verificada de unipr.it
Fred ManbyIambic TherapeuticsDirección de correo verificada de iambic.ai
Nigel ScruttonProfessor of Enzymology, Manchester Institute of Biotechnology (MIB) and School of ChemistryDirección de correo verificada de manchester.ac.uk
Marco MorUniversity of Parma, Università degli Studi di ParmaDirección de correo verificada de unipr.it
Philip HinchliffeUniversity of BristolDirección de correo verificada de bristol.ac.uk
Christiane SchaffitzelProfessor of Biochemistry, Bristol UniversityDirección de correo verificada de bristol.ac.uk
Vickery ArcusProfessor of Biological Sciences, University of WaikatoDirección de correo verificada de waikato.ac.nz
Imre BergerDirector Max Planck Bristol Centre; FMedSci; Professor of Biochemistry and ChemistryDirección de correo verificada de bristol.ac.uk
Supa hannongbuaProfessor of Chemistry, Faculty of Science, Kasetsart UniversityDirección de correo verificada de ku.ac.th
Catherine L. TookeUniversity of BathDirección de correo verificada de bristol.ac.uk
W.A. Sokalskiprof. chemii Politechnika WroclawskaDirección de correo verificada de pwr.edu.pl
J. L. Ross AndersonProfessor of Biological ChemistryDirección de correo verificada de bristol.ac.uk
Hans Adrian BunzelETH ZurichDirección de correo verificada de bsse.ethz.ch
Simon BennieNanome inc.Dirección de correo verificada de nanome.ai

Seguir

Adrian Mulholland

Professor of Chemistry, University of Bristol

Dirección de correo verificada de bristol.ac.uk - Página principal

Enzyme catalysis protein dynamics computational chemistry


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
Combined quantum mechanics/molecular mechanics (QM/MM) methods in computational enzymology MW van der Kamp, AJ Mulholland Biochemistry 52 (16), 2708-2728, 2013	669	2013
Atomic description of an enzyme reaction dominated by proton tunneling L Masgrau, A Roujeinikova, LO Johannissen, P Hothi, J Basran, ... Science 312 (5771), 237-241, 2006	409	2006
Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein C Toelzer, K Gupta, SKN Yadav, U Borucu, AD Davidson, ... Science 370 (6517), 725-730, 2020	406	2020
High-accuracy computation of reaction barriers in enzymes F Claeyssens, JN Harvey, FR Manby, RA Mata, AJ Mulholland, ... ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH- 45 (41), 6856, 2006	345	2006
On the temperature dependence of enzyme-catalyzed rates VL Arcus, EJ Prentice, JK Hobbs, AJ Mulholland, MW Van der Kamp, ... Biochemistry 55 (12), 1681-1688, 2016	317	2016
Taking Ockham's razor to enzyme dynamics and catalysis DR Glowacki, JN Harvey, AJ Mulholland Nature chemistry 4 (3), 169-176, 2012	279	2012
Modelling enzyme reaction mechanisms, specificity and catalysis AJ Mulholland Drug discovery today 10 (20), 1393-1402, 2005	232	2005
A practical guide to modelling enzyme-catalysed reactions R Lonsdale, JN Harvey, AJ Mulholland Chemical Society Reviews 41 (8), 3025-3038, 2012	211	2012
Insights into chorismate mutase catalysis from a combined QM/MM simulation of the enzyme reaction PD Lyne, AJ Mulholland, WG Richards Journal of the American Chemical Society 117 (45), 11345-11350, 1995	210	1995
Does compound I vary significantly between isoforms of cytochrome P450? R Lonsdale, J Oláh, AJ Mulholland, JN Harvey Journal of the American Chemical Society 133 (39), 15464-15474, 2011	200	2011
Electronic structure of compound I in human isoforms of cytochrome P450 from QM/MM modeling CM Bathelt, J Zurek, AJ Mulholland, JN Harvey Journal of the American Chemical Society 127 (37), 12900-12908, 2005	190	2005
Inclusion of dispersion effects significantly improves accuracy of calculated reaction barriers for cytochrome P450 catalyzed reactions R Lonsdale, JN Harvey, AJ Mulholland The Journal of Physical Chemistry Letters 1 (21), 3232-3237, 2010	180	2010
The catalytic mechanism of a natural Diels–Alderase revealed in molecular detail MJ Byrne, NR Lees, LC Han, MW Van Der Kamp, AJ Mulholland, ... Journal of the American Chemical Society 138 (19), 6095-6098, 2016	179	2016
Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A β-lactamase with benzylpenicillin JC Hermann, C Hensen, L Ridder, AJ Mulholland, HD Höltje Journal of the American Chemical Society 127 (12), 4454-4465, 2005	176	2005
Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity DJ Huggins, PC Biggin, MA Dämgen, JW Essex, SA Harris, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (3), e1393, 2019	165	2019
Insights into the mechanistic basis of plasmid-mediated colistin resistance from crystal structures of the catalytic domain of MCR-1 P Hinchliffe, QE Yang, E Portal, T Young, H Li, CL Tooke, MJ Carvalho, ... Scientific reports 7 (1), 39392, 2017	160	2017
Sampling molecular conformations and dynamics in a multiuser virtual reality framework M O’Connor, HM Deeks, E Dawn, O Metatla, A Roudaut, M Sutton, ... Science advances 4 (6), eaat2731, 2018	159	2018
Aromatic hydroxylation by cytochrome P450: model calculations of mechanism and substituent effects CM Bathelt, L Ridder, AJ Mulholland, JN Harvey Journal of the American Chemical Society 125 (49), 15004-15005, 2003	158	2003
Multiscale methods in drug design bridge chemical and biological complexity in the search for cures RE Amaro, AJ Mulholland Nature Reviews Chemistry 2 (4), 0148, 2018	155	2018
P450-catalyzed regio-and diastereoselective steroid hydroxylation: efficient directed evolution enabled by mutability landscaping CG Acevedo-Rocha, CG Gamble, R Lonsdale, A Li, N Nett, ... Acs Catalysis 8 (4), 3395-3410, 2018	151	2018

El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.

Artículos 1–20

Citas por año

Citas duplicadas

Citas combinadas

Añadir coautoresCoautores

Seguir

Citado por

Coautores