Gregory L. Warren - Publications, H-index & Citations

Gregory L. Warren

People's Bank of China

22H指数

53论文数

2.1W被引数

收录论文 19

发表时间

Federation of toxicological data resources for in silico new approach methodologies (NAMs)

Computational Toxicology

IF2.9

2026-01-29

OAAI

Nicoleta Spînu; Dimitris Stripelis; Mark T.D. Cronin; Gregory L. Warren; Andrew P. Worth

The impossible made possible through the use of New Approach Methodologies: Dermal safety assessment of potential insect repellent or insecticidal active ingredients using a high-throughput approach to the in vitro Skin Irritation Test (OECD TG 439)通过新方法学使不可能变为可能：采用高通量方法对潜在杀虫剂或杀虫活性成分进行皮肤安全性评估，应用于 in vitro 皮肤刺激试验（OECD TG 439）。

Alternatives to Laboratory Animals

IF0

2025-12-23

PREAI

Huang Huang; Jacob N. Sanders; Gregory L. Warren; Andrew Patron; Anna Ninobla; Kei Inoue; Henry Valk; Michael Sadler; Benjamin Amorelli; Megan Hanson; Emily Acquaviva; Emma Lear; Megan Creelman; Courtney Nabua; Ethan Pilat; Daniel Latifzadeh; Georgia Price; Hans Raabe; Gertrude-Emilia Costin

Fragment Pose Prediction Using Non-equilibrium Candidate Monte Carlo and Molecular Dynamics Simulations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-03-13

OAAI

Lim, Nathan M.; Osato, Meghan; Warren, Gregory L.; Mobley, David L.

Biomolecular Solvation Structure Revealed by Molecular Dynamics Simulations

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2019-03-05

OAAI

Wall, Michael E.; Calabro, Gaetano; Bayly, Christopher I.; Mobley, David L.; Warren, Gregory L.

POSIT: Flexible Shape-Guided Docking For Pose Prediction

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2015-07-24

120

OAAI

Kelley, Brian P.; Brown, Scott P.; Warren, Gregory L.; Muchmore, Steven W.

The Application of Statistical Methods to Cognate Docking: A Path Forward?

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2014-05-13

OAAI

Hawkins, Paul C. D.; Kelley, Brian P.; Warren, Gregory L.

Essential considerations for using protein-ligand structures in drug discovery

DRUG DISCOVERY TODAY

IF7.5

2012-12-01

141

PREAI

Warren, Gregory L.; Do, Thanh D.; Kelley, Brian P.; Nicholls, Anthony; Warren, Slephen D.

Molecular Shape and Medicinal Chemistry: A Perspective

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2010-05-27

281

OAAI

Nicholls, Anthony; McGaughey, Georgia B.; Sheridan, Robert P.; Good, Andrew C.; Warren, Gregory; Mathieu, Magali; Muchmore, Steven W.; Brown, Scott P.; Grant, J. Andrew; Haigh, James A.; Nevins, Neysa; Jain, Ajay N.; Kelley, Brian

Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2010-03-17

1.4K

OAAI

Hawkins, Paul C. D.; Skillman, A. Geoffrey; Warren, Gregory L.; Ellingson, Benjamin A.; Stahl, Matthew T.

A Hardware-Accelerated Quantum Monte Carlo framework (HAQMC) for N-body systems 用于N体系统的硬件加速量子蒙特卡洛框架 (HAQMC)

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2009-12-01

PREAI

Gothandaraman, Akila; Peterson, Gregory D.; Warren, G. Lee; Hinde, Robert J.; Harrison, Robert J.

Incorporating Phase-Dependent Polarizability in Nonadditive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2009-01-08

OAAI

Bauer, Brad A.; Warren, G. Lee; Patel, Sandeep

Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2008-08-23

145

PREAI

Heerding, Dirk A.; Rhodes, Nelson; Leber, Jack D.; Clark, Tammy J.; Keenan, Richard M.; Lafrance, Louis V.; Li, Mei; Safonov, Igor G.; Takata, Dennis T.; Venslavsky, Joseph W.; Yamashita, Dennis S.; Choudhry, Anthony E.; Copeland, Robert A.; Lai, Zhihong; Schaber, Michael D.; Tummino, Peter J.; Strum, Susan L.; Wood, Edgar R.; Duckett, Derek R.; Eberwein, Derek; Knick, Victoria B.; Lansing, Timothy J.; McConnell, Randy T.; Zhang, ShuYun; Minthorn, Elisabeth A.; Concha, Nestor O.; Warren, Gregory L.; Kumar, Rakesh

Comparison of the solvation structure of polarizable and nonpolarizable ions in bulk water and near the aqueous liquid-vapor interface

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2008-04-15

PREAI

Warren, G. Lee; Patel, Sandeep

Origin and control of superlinear polarizability scaling in chemical potential equalization methods

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2008-04-10

OAAI

Warren, G. Lee; Davis, Joseph E.; Patel, Sandeep

How to do an evaluation: pitfalls and traps (vol 22, pg 191, 2008)

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2008-03-14

OAAI

Hawkins, Paul C. D.; Warren, Gregory L.; Skillman, A. Geoffrey; Nicholls, Anthony

How to do an evaluation: pitfalls and traps

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2008-01-23

135

OAAI

Hawkins, Paul C. D.; Warren, Gregory L.; Skillman, A. Geoffrey; Nicholls, Anthony

Thermodynamic and structural properties of methanol-water solutions using nonadditive interaction models 使用非加性相互作用模型的甲醇水溶液的热力学和结构性质

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2007-12-11

OAAI

Zhong, Yang; Warren, G. Lee; Patel, Sandeep

Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: An assessment of simulation methodology and force field performance and transferability

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2007-08-14

124

PREAI

Warren, G. Lee; Patel, Sandeep

A critical assessment of docking programs and scoring functions

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2005-08-13

1.5K

PREAI

Warren, Gregory L.; Andrews, C. Webster; Capelli, Anna-Maria; Clarke, Brian; LaLonde, Judith; Lambert, Millard H.; Lindvall, Mika; Nevins, Neysa; Semus, Simon F.; Senger, Stefan; Tedesco, Giovanna; Wall, Ian D.; Woolven, James M.; Peishoff, Catherine E.; Head, Martha S.

研究方向